smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)[C@H]1CC[C@]2(C1)C(C)=CC(=O)C[C@@H]2C	ZINC000000967556	571679310	/nfs/dbraw/zinc/67/93/10/571679310.db2.gz	FGCUSSRGQNHZRW-YDHLFZDLSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
CC1(C)[C@@H]2C[C@H]1C(=O)/C(=C/c1ccccc1)C2	ZINC000001037186	168009673	/nfs/dbraw/zinc/00/96/73/168009673.db2.gz	NKWTXASMNZHMLU-QZKSUSQMSA-N	0	0	226.319	3.705	1	30		BHEFRN
C=CCCC[C@]12CCCc3cccc(c31)NC2=O	ZINC000001631790	166248278	/nfs/dbraw/zinc/24/82/78/166248278.db2.gz	AHLXYZLFKAUGCX-INIZCTEOSA-N	0	0	241.334	3.569	1	30		BHEFRN
N#Cc1c2ccccc2cn1-c1ccc(F)cc1	ZINC000001633620	181079364	/nfs/dbraw/zinc/07/93/64/181079364.db2.gz	AHBXKDRAAPZAMR-UHFFFAOYSA-N	0	0	236.249	3.641	1	30		BHEFRN
C=CC[C@H](SC)C1=C(C)C(=O)c2ccccc21	ZINC000001638678	188273954	/nfs/dbraw/zinc/27/39/54/188273954.db2.gz	GWFPJWNIEWMHQR-ZDUSSCGKSA-N	0	0	244.359	3.964	1	30		BHEFRN
C=CCc1ccc(OC(=O)c2ccccc2)cc1	ZINC000001764678	188225885	/nfs/dbraw/zinc/22/58/85/188225885.db2.gz	PJUDEPFOHLENKM-UHFFFAOYSA-N	0	0	238.286	3.634	1	30		BHEFRN
C=C(C)CCC[C@H](C)CCOC(=O)C(C)C	ZINC000001851001	574411635	/nfs/dbraw/zinc/41/16/35/574411635.db2.gz	KHCGLDOOFYZQKU-ZDUSSCGKSA-N	0	0	226.360	3.958	1	30	endogenous,in-man	BHEFRN
C=C(C)CCC[C@@H](C)CCOC(=O)C(C)C	ZINC000001851002	574411642	/nfs/dbraw/zinc/41/16/42/574411642.db2.gz	KHCGLDOOFYZQKU-CYBMUJFWSA-N	0	0	226.360	3.958	1	30	endogenous,in-man	BHEFRN
C=CCCON(C(=O)OC(C)(C)C)C(C)(C)C	ZINC000001858645	166271092	/nfs/dbraw/zinc/27/10/92/166271092.db2.gz	QTKITMITOUUYMZ-UHFFFAOYSA-N	0	0	243.347	3.530	1	30		BHEFRN
C=C(C)C1(Sc2ccc(OC)cc2)CC1	ZINC000001864209	187712637	/nfs/dbraw/zinc/71/26/37/187712637.db2.gz	DOFSVJNXQPMMFC-UHFFFAOYSA-N	0	0	220.337	3.896	1	30		BHEFRN
Cc1cccc(/C=N/N=C/c2cccc(C)c2)c1	ZINC000002029408	342714844	/nfs/dbraw/zinc/71/48/44/342714844.db2.gz	WHDOTVYJQXLOJU-JYFOCSDGSA-N	0	0	236.318	3.756	1	30		BHEFRN
C=C(C)[C@H]1CCC2=CC(=O)C[C@H](C)[C@]2(C)C1	ZINC000002105958	560186463	/nfs/dbraw/zinc/18/64/63/560186463.db2.gz	WTOYNNBCKUYIKC-HUBLWGQQSA-N	0	0	218.340	3.904	1	30	endogenous,in-vitro	BHEFRN
C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(/C)CO	ZINC000002507983	574411851	/nfs/dbraw/zinc/41/18/51/574411851.db2.gz	OJYKYCDSGQGTRJ-GQYWAMEOSA-N	0	0	220.356	3.698	1	30	endogenous,in-man	BHEFRN
C=C1CCC(=O)[C@@H](C)CC[C@@H]2[C@H]1CC2(C)C	ZINC000003978616	187362761	/nfs/dbraw/zinc/36/27/61/187362761.db2.gz	GWBJPNAWYMBRLQ-RWMBFGLXSA-N	0	0	220.356	3.984	1	30	in-vitro	BHEFRN
C=C1CCC(=O)[C@@H](C)CC[C@H]2[C@H]1CC2(C)C	ZINC000003978618	560192757	/nfs/dbraw/zinc/19/27/57/560192757.db2.gz	GWBJPNAWYMBRLQ-AVGNSLFASA-N	0	0	220.356	3.984	1	30	in-vitro	BHEFRN
Cc1cccc(NN=Cc2ccc(F)c(F)c2)c1	ZINC000004925657	179120457	/nfs/dbraw/zinc/12/04/57/179120457.db2.gz	KDIMSGDOKFLGFA-RQZCQDPDSA-N	0	0	246.260	3.719	1	30		BHEFRN
Cc1ccc(C=Nc2ccc3[nH]c(C)nc3c2)o1	ZINC000005322610	180076602	/nfs/dbraw/zinc/07/66/02/180076602.db2.gz	MITAUMDRXJCWBH-NVNXTCNLSA-N	0	0	239.278	3.523	1	30		BHEFRN
C=C1CCCC(C)(C)[C@H]1C/C=C1\CCOC1=O	ZINC000005538859	188051612	/nfs/dbraw/zinc/05/16/12/188051612.db2.gz	NXLLBYJRCKRKNN-UWUHSAQLSA-N	0	0	234.339	3.632	1	30		BHEFRN
C=CCCC[C@@]12CCCc3cccc(c31)NC2=O	ZINC000005600958	166245424	/nfs/dbraw/zinc/24/54/24/166245424.db2.gz	AHLXYZLFKAUGCX-MRXNPFEDSA-N	0	0	241.334	3.569	1	30		BHEFRN
CC1(C)[C@H]2C[C@@H]1C(=O)/C(=C/c1ccccc1)C2	ZINC000005757366	168003094	/nfs/dbraw/zinc/00/30/94/168003094.db2.gz	NKWTXASMNZHMLU-DXIMFJFMSA-N	0	0	226.319	3.705	1	30		BHEFRN
C=CC[C@@H](SC)C1=C(C)C(=O)c2ccccc21	ZINC000005757532	188277789	/nfs/dbraw/zinc/27/77/89/188277789.db2.gz	GWFPJWNIEWMHQR-CYBMUJFWSA-N	0	0	244.359	3.964	1	30		BHEFRN
C=C1CC/C=C(\CO)CC[C@H]2[C@H]1CC2(C)C	ZINC000005762440	290784772	/nfs/dbraw/zinc/78/47/72/290784772.db2.gz	MGIQTXDHQJGPEZ-MJMIMOCRSA-N	0	0	220.356	3.698	1	30	biogenic,in-vitro	BHEFRN
C=C1CC/C=C(\CO)CC[C@H]2[C@@H]1CC2(C)C	ZINC000005762523	290784775	/nfs/dbraw/zinc/78/47/75/290784775.db2.gz	MGIQTXDHQJGPEZ-QQKWEAIHSA-N	0	0	220.356	3.698	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@]2(C)[C@@H](O)CC[C@@H](C)[C@@H]2C1	ZINC000005812714	188225142	/nfs/dbraw/zinc/22/51/42/188225142.db2.gz	SZJYIPBMAVTAPS-QTVXIADOSA-N	0	0	222.372	3.776	1	30		BHEFRN
C=C1C(=O)C[C@H]2[C@@H]3CC[C@H](C)[C@]12CC3(C)C	ZINC000005847967	187391697	/nfs/dbraw/zinc/39/16/97/187391697.db2.gz	JDGYVUJBJYXKSX-AVNXNWIJSA-N	0	0	218.340	3.594	1	30		BHEFRN
Cc1nc2cc(N=Cc3cccs3)ccc2[nH]1	ZINC000005940881	180076934	/nfs/dbraw/zinc/07/69/34/180076934.db2.gz	PXLBYEFMDVMUAG-ZSOIEALJSA-N	0	0	241.319	3.683	1	30		BHEFRN
c1cc2c3c(c1)[C@@H]1O[C@@H]1c1cccc(c1-3)[C@@H]1O[C@H]21	ZINC000006009845	183372978	/nfs/dbraw/zinc/37/29/78/183372978.db2.gz	ODWIKMRCLCFXPH-SYMSYNOKSA-N	0	0	234.254	3.606	1	30		BHEFRN
C#C[C@@]1(CCC)OC(=O)Nc2ccc(Cl)cc21	ZINC000006381425	166214140	/nfs/dbraw/zinc/21/41/40/166214140.db2.gz	QOMQIYZUZZTHIM-ZDUSSCGKSA-N	0	0	249.697	3.531	1	30		BHEFRN
Cc1cccc(NN=Cc2c[nH]c3ccccc23)c1	ZINC000007932217	179120760	/nfs/dbraw/zinc/12/07/60/179120760.db2.gz	XVOWEBAZMSTPSZ-WOJGMQOQSA-N	0	0	249.317	3.922	1	30		BHEFRN
C=CC[C@](O)(C#Cc1ccccc1)c1ccccc1	ZINC000008860540	188225161	/nfs/dbraw/zinc/22/51/61/188225161.db2.gz	OGGJVCYZHIWFMJ-SFHVURJKSA-N	0	0	248.325	3.502	1	30		BHEFRN
C=C(C)[C@H](O)/C=C/c1ccc(C(F)(F)F)cc1	ZINC000008860543	187363996	/nfs/dbraw/zinc/36/39/96/187363996.db2.gz	BSAKFIBWNHXYCK-FZKGZDJFSA-N	0	0	242.240	3.656	1	30		BHEFRN
CC1=C[C@H]2[C@@H](CC1=O)C(C)=CC[C@@H]2C(C)C	ZINC000009213627	168131667	/nfs/dbraw/zinc/13/16/67/168131667.db2.gz	LMILVXQXGKTFSZ-HZSPNIEDSA-N	0	0	218.340	3.760	1	30		BHEFRN
C=C1C[C@H]2O[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C	ZINC000009302325	187874995	/nfs/dbraw/zinc/87/49/95/187874995.db2.gz	AMTSLHRSERHBCF-GFQSEFKGSA-N	0	0	206.329	3.546	1	30		BHEFRN
C=C1C[C@H]2O[C@@]2(C)CC[C@H]2[C@@H]1CC2(C)C	ZINC000009302326	187363479	/nfs/dbraw/zinc/36/34/79/187363479.db2.gz	AMTSLHRSERHBCF-CZXHOFHRSA-N	0	0	206.329	3.546	1	30		BHEFRN
C=C1CC[C@H]2O[C@]2(C)CC[C@H]2[C@H]1CC2(C)C	ZINC000012153228	560211500	/nfs/dbraw/zinc/21/15/00/560211500.db2.gz	NVEQFIOZRFFVFW-RMRHIDDWSA-N	0	0	220.356	3.936	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@H]2O[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C	ZINC000012153229	560211547	/nfs/dbraw/zinc/21/15/47/560211547.db2.gz	NVEQFIOZRFFVFW-QVHKTLOISA-N	0	0	220.356	3.936	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1	ZINC000012153414	188224800	/nfs/dbraw/zinc/22/48/00/188224800.db2.gz	DPQYOKVMVCQHMY-KBUPBQIOSA-N	0	0	222.372	3.920	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1	ZINC000012153415	187538173	/nfs/dbraw/zinc/53/81/73/187538173.db2.gz	DPQYOKVMVCQHMY-GBJTYRQASA-N	0	0	222.372	3.920	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1	ZINC000012153417	571693467	/nfs/dbraw/zinc/69/34/67/571693467.db2.gz	DPQYOKVMVCQHMY-LJISPDSOSA-N	0	0	222.372	3.920	1	30	endogenous,in-man	BHEFRN
O=C1Nc2ccccc2C1C=Nc1ccccc1	ZINC000013125776	183253116	/nfs/dbraw/zinc/25/31/16/183253116.db2.gz	KOBUXAQDZSROAT-MHWRWJLKSA-N	0	0	236.274	3.624	1	30		BHEFRN
C=C1C(=O)C[C@H](C(C)C)[C@@]12CC=C(C)CC2	ZINC000013307496	560214105	/nfs/dbraw/zinc/21/41/05/560214105.db2.gz	XDBOEVDBTVZZRP-UKRRQHHQSA-N	0	0	218.340	3.904	1	30	biogenic,in-vitro	BHEFRN
C=C[C@@]1(C)C(=O)c2occ(C)c2C[C@@H]1C(=C)C	ZINC000013370412	560215187	/nfs/dbraw/zinc/21/51/87/560215187.db2.gz	RMLGJWOUYGEILN-IUODEOHRSA-N	0	0	230.307	3.711	1	30	biogenic,in-vitro	BHEFRN
C=C1C=C[C@H]([C@@H](C)C[C@H](O)C=C(C)C)CC1	ZINC000013377580	571699651	/nfs/dbraw/zinc/69/96/51/571699651.db2.gz	KRPZTCZJBVPGEM-SOUVJXGZSA-N	0	0	220.356	3.862	1	30	endogenous,in-man	BHEFRN
C=C1C=C[C@H]([C@H](C)C[C@H](O)C=C(C)C)CC1	ZINC000013377581	571699729	/nfs/dbraw/zinc/69/97/29/571699729.db2.gz	KRPZTCZJBVPGEM-QLFBSQMISA-N	0	0	220.356	3.862	1	30	endogenous,in-man	BHEFRN
C=C1C=C[C@H]([C@@H](C)C[C@@H](O)C=C(C)C)CC1	ZINC000013377582	571699522	/nfs/dbraw/zinc/69/95/22/571699522.db2.gz	KRPZTCZJBVPGEM-KKUMJFAQSA-N	0	0	220.356	3.862	1	30	endogenous,in-man	BHEFRN
C=C1C=C[C@H]([C@H](C)C[C@@H](O)C=C(C)C)CC1	ZINC000013377583	571699594	/nfs/dbraw/zinc/69/95/94/571699594.db2.gz	KRPZTCZJBVPGEM-ILXRZTDVSA-N	0	0	220.356	3.862	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1[C@@H]2C[C@@H](C)CC[C@H]2C(C)=C[C@H]1O	ZINC000013381297	188435947	/nfs/dbraw/zinc/43/59/47/188435947.db2.gz	VSKFQHOVPUQNSE-MQFWEAQZSA-N	0	0	220.356	3.552	1	30		BHEFRN
C/C1=C/CC[C@@]2(CO2)[C@@H]2CC(C)(C)[C@@H]2CC1	ZINC000013383724	571700218	/nfs/dbraw/zinc/70/02/18/571700218.db2.gz	AURKDPLYMRHYAY-ORABUEDLSA-N	0	0	220.356	3.938	1	30	endogenous,in-man	BHEFRN
C/C1=C/CC[C@]2(CO2)[C@@H]2CC(C)(C)[C@@H]2CC1	ZINC000013383725	571700256	/nfs/dbraw/zinc/70/02/56/571700256.db2.gz	AURKDPLYMRHYAY-XGXDMWQASA-N	0	0	220.356	3.938	1	30	endogenous,in-man	BHEFRN
C/C1=C/CC[C@@]2(CO2)[C@H]2CC(C)(C)[C@@H]2CC1	ZINC000013383726	571700168	/nfs/dbraw/zinc/70/01/68/571700168.db2.gz	AURKDPLYMRHYAY-UUIQKQLESA-N	0	0	220.356	3.938	1	30	endogenous,in-man	BHEFRN
C/C1=C/CC[C@]2(CO2)[C@H]2CC(C)(C)[C@@H]2CC1	ZINC000013383727	571700207	/nfs/dbraw/zinc/70/02/07/571700207.db2.gz	AURKDPLYMRHYAY-BBOSXGCTSA-N	0	0	220.356	3.938	1	30	endogenous,in-man	BHEFRN
C=C1CC/C=C(\C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000013383808	188052034	/nfs/dbraw/zinc/05/20/34/188052034.db2.gz	OIEGRICJBAVBOD-NSJKMKOJSA-N	0	0	220.356	3.696	1	30		BHEFRN
C/C1=C/CC[C@H](C=O)[C@@H]2CC(C)(C)[C@@H]2CC1	ZINC000013383865	571700189	/nfs/dbraw/zinc/70/01/89/571700189.db2.gz	VLWNRFXSKLVVEB-VAVFBHOTSA-N	0	0	220.356	3.984	1	30	endogenous,in-man	BHEFRN
C/C1=C/CC[C@@H](C=O)[C@@H]2CC(C)(C)[C@@H]2CC1	ZINC000013383866	571700166	/nfs/dbraw/zinc/70/01/66/571700166.db2.gz	VLWNRFXSKLVVEB-LJQZHBTOSA-N	0	0	220.356	3.984	1	30	endogenous,in-man	BHEFRN
C/C1=C/CC[C@H](C=O)[C@H]2CC(C)(C)[C@@H]2CC1	ZINC000013383867	188106075	/nfs/dbraw/zinc/10/60/75/188106075.db2.gz	VLWNRFXSKLVVEB-PUHLDHRLSA-N	0	0	220.356	3.984	1	30	endogenous,in-man	BHEFRN
C/C1=C/CC[C@@H](C=O)[C@H]2CC(C)(C)[C@@H]2CC1	ZINC000013383868	571700245	/nfs/dbraw/zinc/70/02/45/571700245.db2.gz	VLWNRFXSKLVVEB-CHVGBIPESA-N	0	0	220.356	3.984	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@]2(C)OC(=O)C(=C(C)C)C[C@@H]12	ZINC000013384242	188225340	/nfs/dbraw/zinc/22/53/40/188225340.db2.gz	ZZEKLJSJUUZCFB-WHOFXGATSA-N	0	0	234.339	3.631	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@]2(C)OC(=O)C(=C(C)C)C[C@@H]12	ZINC000013384244	560216127	/nfs/dbraw/zinc/21/61/27/560216127.db2.gz	ZZEKLJSJUUZCFB-ZLDLUXBVSA-N	0	0	234.339	3.631	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@@H](C)[C@]12CC(=C(C)C)C(=O)O2	ZINC000013412541	571700579	/nfs/dbraw/zinc/70/05/79/571700579.db2.gz	KHOTZHZBHNDKOB-UXIGCNINSA-N	0	0	234.339	3.631	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@H](C)[C@]12CC(=C(C)C)C(=O)O2	ZINC000013412544	188052009	/nfs/dbraw/zinc/05/20/09/188052009.db2.gz	KHOTZHZBHNDKOB-NJZAAPMLSA-N	0	0	234.339	3.631	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@@H](C)[C@]12CC(=C(C)C)C(=O)O2	ZINC000013412547	571700518	/nfs/dbraw/zinc/70/05/18/571700518.db2.gz	KHOTZHZBHNDKOB-OSAQELSMSA-N	0	0	234.339	3.631	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@H](C)[C@]12CC(=C(C)C)C(=O)O2	ZINC000013412551	188225326	/nfs/dbraw/zinc/22/53/26/188225326.db2.gz	KHOTZHZBHNDKOB-CORIIIEPSA-N	0	0	234.339	3.631	1	30	endogenous,in-man	BHEFRN
C=CC[C@@H](CC/C(C)=C/C=C/CCCO)OC	ZINC000013473239	188279422	/nfs/dbraw/zinc/27/94/22/188279422.db2.gz	HUWREOAELWRMFF-KCQUFVDESA-N	0	0	238.371	3.633	1	30		BHEFRN
CC(C)C(C)(C)[C@H]1CC/C(=N\O)[C@@H](C)C1	ZINC000013541691	188280213	/nfs/dbraw/zinc/28/02/13/188280213.db2.gz	VJZSRSSLXIIKRT-AXNDHVTISA-N	0	0	211.349	3.935	1	30		BHEFRN
N#Cc1ccc2c(c1)Sc1ccccc1O2	ZINC000013606042	181132730	/nfs/dbraw/zinc/13/27/30/181132730.db2.gz	SEQQECSHITUZQZ-UHFFFAOYSA-N	0	0	225.272	3.815	1	30		BHEFRN
C(#C[C@@H]1C[C@@H]1c1c[nH]cn1)CCC1CCCCC1	ZINC000013795284	166226309	/nfs/dbraw/zinc/22/63/09/166226309.db2.gz	RIUKBQARIDWZSC-CABCVRRESA-N	0	0	242.366	3.877	1	30		BHEFRN
C(#C[C@H]1C[C@@H]1c1c[nH]cn1)CCC1CCCCC1	ZINC000013795287	166225734	/nfs/dbraw/zinc/22/57/34/166225734.db2.gz	RIUKBQARIDWZSC-GJZGRUSLSA-N	0	0	242.366	3.877	1	30		BHEFRN
C(#C[C@@H]1C[C@H]1c1c[nH]cn1)CCC1CCCCC1	ZINC000013795290	166225856	/nfs/dbraw/zinc/22/58/56/166225856.db2.gz	RIUKBQARIDWZSC-HUUCEWRRSA-N	0	0	242.366	3.877	1	30		BHEFRN
C(#C[C@H]1C[C@H]1c1c[nH]cn1)CCC1CCCCC1	ZINC000013795293	166225660	/nfs/dbraw/zinc/22/56/60/166225660.db2.gz	RIUKBQARIDWZSC-LSDHHAIUSA-N	0	0	242.366	3.877	1	30		BHEFRN
C[C@@H]1C[C@H]2CC(=O)C=CN2c2ccc(Cl)cc21	ZINC000013813826	132322270	/nfs/dbraw/zinc/32/22/70/132322270.db2.gz	YCLJIQZCIRKRBL-KOLCDFICSA-N	0	0	247.725	3.509	1	30		BHEFRN
C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12	ZINC000013831217	571704377	/nfs/dbraw/zinc/70/43/77/571704377.db2.gz	HRYLQFBHBWLLLL-CDUOWVSSSA-N	0	0	232.323	3.551	1	30	endogenous,in-man	BHEFRN
C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)CC[C@H]12	ZINC000013831218	571704324	/nfs/dbraw/zinc/70/43/24/571704324.db2.gz	HRYLQFBHBWLLLL-HBYQJQKLSA-N	0	0	232.323	3.551	1	30	endogenous,in-man	BHEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@H]12	ZINC000013831219	571704652	/nfs/dbraw/zinc/70/46/52/571704652.db2.gz	HRYLQFBHBWLLLL-WYQIJYEQSA-N	0	0	232.323	3.551	1	30	endogenous,in-man	BHEFRN
C=C1[C@H](O)C[C@H](C(C)C)[C@@]12CC=C(C)CC2	ZINC000014413188	290785763	/nfs/dbraw/zinc/78/57/63/290785763.db2.gz	NROQFHKUAQVZGM-RBSFLKMASA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C=C1C=C[C@]2(C[C@H]1O)[C@@H](C(C)C)CC[C@@H]2C	ZINC000014413202	560221283	/nfs/dbraw/zinc/22/12/83/560221283.db2.gz	QLUSLBMNADHHII-GBJTYRQASA-N	0	0	220.356	3.552	1	30	biogenic,in-vitro	BHEFRN
CC1=CC[C@]2(CC1=O)[C@H](C)CC[C@H]2C(C)C	ZINC000014413258	571705134	/nfs/dbraw/zinc/70/51/34/571705134.db2.gz	HBTHUBMUAHAWBC-IPYPFGDCSA-N	0	0	220.356	3.984	1	30	endogenous,in-man	BHEFRN
CC1=CC[C@]2(CC1=O)[C@H](C)CC[C@@H]2C(C)C	ZINC000014413262	571705122	/nfs/dbraw/zinc/70/51/22/571705122.db2.gz	HBTHUBMUAHAWBC-NFAWXSAZSA-N	0	0	220.356	3.984	1	30	endogenous,in-man	BHEFRN
CC1=CC[C@@]2(CC1=O)[C@@H](C(C)C)CC[C@@H]2C	ZINC000014413265	571705266	/nfs/dbraw/zinc/70/52/66/571705266.db2.gz	HBTHUBMUAHAWBC-GUTXKFCHSA-N	0	0	220.356	3.984	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CCC[C@@]2(C)CCC[C@@](C)(NC=O)[C@@H]12	ZINC000014419620	188535090	/nfs/dbraw/zinc/53/50/90/188535090.db2.gz	JBJCEWWBNURZRA-FXUDXRNXSA-N	0	0	249.398	3.674	1	30		BHEFRN
C=C1CC/C=C(/C)C(=O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000014445423	187391454	/nfs/dbraw/zinc/39/14/54/187391454.db2.gz	KXSUIPOSVGSLQP-CUOXCHRPSA-N	0	0	218.340	3.904	1	30		BHEFRN
COC1=C[C@]2(C)CCC(C(C)C)=CC2=C(C)C1=O	ZINC000014452538	174014742	/nfs/dbraw/zinc/01/47/42/174014742.db2.gz	FHNDXUYNRPSKDT-INIZCTEOSA-N	0	0	246.350	3.798	1	30		BHEFRN
C=C[C@@](C)(O)CCC[C@@H](C)CC(=O)C=C(C)C	ZINC000014452681	560221721	/nfs/dbraw/zinc/22/17/21/560221721.db2.gz	VQLQYAMTNKORFK-UKRRQHHQSA-N	0	0	238.371	3.655	1	30	biogenic,in-vitro	BHEFRN
CC(C)=CC(=O)C=C(C)CCC/C(C)=C/CO	ZINC000014452706	571708757	/nfs/dbraw/zinc/70/87/57/571708757.db2.gz	VCXVMWVWGVWZPY-CCLLZULESA-N	0	0	236.355	3.577	1	30	endogenous,in-man	BHEFRN
C=C[C@](C)(O)CC1=C(C(=C)C)CCC(C)=C1	ZINC000014560022	571711863	/nfs/dbraw/zinc/71/18/63/571711863.db2.gz	ZIVKTIMZADKFSV-HNNXBMFYSA-N	0	0	218.340	3.926	1	30	endogenous,in-man	BHEFRN
C=C[C@@](C)(O)CC1=C(C(=C)C)CCC(C)=C1	ZINC000014560024	571712364	/nfs/dbraw/zinc/71/23/64/571712364.db2.gz	ZIVKTIMZADKFSV-OAHLLOKOSA-N	0	0	218.340	3.926	1	30	endogenous,in-man	BHEFRN
C=C(C)c1ccc(C)cc1OC(=O)/C(C)=C/C	ZINC000014588616	560222637	/nfs/dbraw/zinc/22/26/37/560222637.db2.gz	MHVVYWCDJGNGIX-WUXMJOGZSA-N	0	0	230.307	3.900	1	30	biogenic,in-vitro	BHEFRN
CC1=C2C(=O)[C@@H]3CC[C@@H](C)[C@@]2(CC1)C3(C)C	ZINC000014637873	571717299	/nfs/dbraw/zinc/71/72/99/571717299.db2.gz	JAWSHISYWRRQQQ-JRPNMDOOSA-N	0	0	218.340	3.738	1	30	endogenous,in-man	BHEFRN
CC1=C2C(=O)[C@@H]3CC[C@H](C)[C@@]2(CC1)C3(C)C	ZINC000014637875	571717380	/nfs/dbraw/zinc/71/73/80/571717380.db2.gz	JAWSHISYWRRQQQ-ZIBATOQPSA-N	0	0	218.340	3.738	1	30	endogenous,in-man	BHEFRN
CC1=C2C[C@@H]3CC[C@@H](C)[C@@]2(CC1=O)C3(C)C	ZINC000014637899	560223342	/nfs/dbraw/zinc/22/33/42/560223342.db2.gz	GIGKXOAUYMWORB-BPYAMOTFSA-N	0	0	218.340	3.738	1	30	in-vitro	BHEFRN
CC1=C2C[C@@H]3CC[C@H](C)[C@@]2(CC1=O)C3(C)C	ZINC000014637901	560223404	/nfs/dbraw/zinc/22/34/04/560223404.db2.gz	GIGKXOAUYMWORB-CCUNJIBTSA-N	0	0	218.340	3.738	1	30	in-vitro	BHEFRN
C=CCc1ccc(OCC=C(C)C)cc1	ZINC000014680287	560100888	/nfs/dbraw/zinc/10/08/88/560100888.db2.gz	UCSGFTQHJDOIND-UHFFFAOYSA-N	0	0	202.297	3.760	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@@](C)(CCCC(C)=O)C(=O)C1	ZINC000014694136	571720746	/nfs/dbraw/zinc/72/07/46/571720746.db2.gz	FCPUGTGXHMJFQH-UKRRQHHQSA-N	0	0	236.355	3.697	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@@](C)(CCCC(C)=O)C(=O)C1	ZINC000014694138	571720945	/nfs/dbraw/zinc/72/09/45/571720945.db2.gz	FCPUGTGXHMJFQH-DZGCQCFKSA-N	0	0	236.355	3.697	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@](C)(CCCC(C)=O)C(=O)C1	ZINC000014694140	571721002	/nfs/dbraw/zinc/72/10/02/571721002.db2.gz	FCPUGTGXHMJFQH-HIFRSBDPSA-N	0	0	236.355	3.697	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@](C)(CCCC(C)=O)C(=O)C1	ZINC000014694142	571720997	/nfs/dbraw/zinc/72/09/97/571720997.db2.gz	FCPUGTGXHMJFQH-ZFWWWQNUSA-N	0	0	236.355	3.697	1	30	endogenous,in-man	BHEFRN
CC(=O)CC[C@@H]1C(=O)C=C(C(C)C)CC[C@@H]1C	ZINC000014694275	187392044	/nfs/dbraw/zinc/39/20/44/187392044.db2.gz	PDXOECHKUSAMHE-FZMZJTMJSA-N	0	0	236.355	3.553	1	30		BHEFRN
C[C@@H]1CCC=C2CC[C@@H]3[C@@H]([C@@]3(C)C=O)[C@]21C	ZINC000014856000	290790753	/nfs/dbraw/zinc/79/07/53/290790753.db2.gz	IQBWPZYQOFAABM-IKSZGEOFSA-N	0	0	218.340	3.594	1	30	biogenic,in-vitro	BHEFRN
C[C@@H]1CC(=O)C=C2CC[C@@H]3[C@@H](C3(C)C)[C@]21C	ZINC000014856069	290790243	/nfs/dbraw/zinc/79/02/43/290790243.db2.gz	OHIBAYUTHVYXER-JWFUOXDNSA-N	0	0	218.340	3.594	1	30	biogenic,in-vitro	BHEFRN
C[C@@H]1CCC=C2C(=O)C[C@@H]3[C@@H](C3(C)C)[C@]21C	ZINC000014856073	518179028	/nfs/dbraw/zinc/17/90/28/518179028.db2.gz	AMWACJANOINTHG-RNKJKDHYSA-N	0	0	218.340	3.594	1	30	biogenic,in-vitro	BHEFRN
C=C(CO)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@@H]12	ZINC000014918122	560227367	/nfs/dbraw/zinc/22/73/67/560227367.db2.gz	CZSSHKCZSDDOAH-UQOMUDLDSA-N	0	0	220.356	3.554	1	30	biogenic,in-vitro	BHEFRN
C=C(C(=O)OC)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12	ZINC000014918137	290782078	/nfs/dbraw/zinc/78/20/78/290782078.db2.gz	AOBAHYLCIGMCHX-UNQGMJICSA-N	0	0	248.366	3.734	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1C(=O)C=C(C)[C@@H]2CC[C@H](C)C[C@H]21	ZINC000014918221	187391891	/nfs/dbraw/zinc/39/18/91/187391891.db2.gz	SIZHTHJIDBXZNM-DNVSUFBTSA-N	0	0	218.340	3.760	1	30		BHEFRN
C=C(C)[C@H]1CC[C@]2(C)CC=C(CO)CC[C@@H]12	ZINC000014956129	560227982	/nfs/dbraw/zinc/22/79/82/560227982.db2.gz	AUASPLXQOHHJLG-ILXRZTDVSA-N	0	0	220.356	3.698	1	30	biogenic,in-vitro	BHEFRN
C=C[C@]1(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]1C(=C)C	ZINC000015149979	571732987	/nfs/dbraw/zinc/73/29/87/571732987.db2.gz	WOULTTPZJDSDEI-LXTVHRRPSA-N	0	0	222.372	3.798	1	30	endogenous,in-man	BHEFRN
C=C[C@@]1(C)CC[C@](O)(C(C)C)C[C@@H]1C(=C)C	ZINC000015150005	290785920	/nfs/dbraw/zinc/78/59/20/290785920.db2.gz	IEPFBZDLASGILR-QLFBSQMISA-N	0	0	222.372	3.942	1	30	biogenic,in-vitro	BHEFRN
CC(C)=C1C/C=C(/C)CC[C@@H]2O[C@@]2(C)CC1=O	ZINC000015160628	571733478	/nfs/dbraw/zinc/73/34/78/571733478.db2.gz	BRHJBHVGLHMQCU-TWWRYUQQSA-N	0	0	234.339	3.570	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C/C=C(/C)CC[C@H]2O[C@@]2(C)CC1=O	ZINC000015160629	571733399	/nfs/dbraw/zinc/73/33/99/571733399.db2.gz	BRHJBHVGLHMQCU-WDXBHHQGSA-N	0	0	234.339	3.570	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C/C=C(/C)CC[C@@H]2O[C@]2(C)CC1=O	ZINC000015160630	571733587	/nfs/dbraw/zinc/73/35/87/571733587.db2.gz	BRHJBHVGLHMQCU-KGRKPJGKSA-N	0	0	234.339	3.570	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C/C=C(/C)CC[C@H]2O[C@]2(C)CC1=O	ZINC000015160631	571733627	/nfs/dbraw/zinc/73/36/27/571733627.db2.gz	BRHJBHVGLHMQCU-ILSYHXBVSA-N	0	0	234.339	3.570	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C[C@@H]2O[C@@]2(C)CCCC(C)=CC1=O	ZINC000015160632	571733606	/nfs/dbraw/zinc/73/36/06/571733606.db2.gz	DWGVRYKQVZGSIB-ZRDDCUNGSA-N	0	0	234.339	3.570	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C[C@H]2O[C@@]2(C)CCCC(C)=CC1=O	ZINC000015160633	571733589	/nfs/dbraw/zinc/73/35/89/571733589.db2.gz	DWGVRYKQVZGSIB-ALLMMHQKSA-N	0	0	234.339	3.570	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C[C@@H]2O[C@]2(C)CCCC(C)=CC1=O	ZINC000015160634	571733529	/nfs/dbraw/zinc/73/35/29/571733529.db2.gz	DWGVRYKQVZGSIB-ZDUQJDDRSA-N	0	0	234.339	3.570	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C[C@H]2O[C@]2(C)CCCC(C)=CC1=O	ZINC000015160635	571733487	/nfs/dbraw/zinc/73/34/87/571733487.db2.gz	DWGVRYKQVZGSIB-JDBPXVJJSA-N	0	0	234.339	3.570	1	30	endogenous,in-man	BHEFRN
Cc1coc2c1C(=O)/C=C(/C)CC/C=C(\C)C2	ZINC000015160657	571733425	/nfs/dbraw/zinc/73/34/25/571733425.db2.gz	XVOHELPNOXGRBQ-IKVLVDHLSA-N	0	0	230.307	4.000	1	30	endogenous,in-man	BHEFRN
C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)CC=C(C)C)O1	ZINC000015163630	290786400	/nfs/dbraw/zinc/78/64/00/290786400.db2.gz	FJKKZNIYYVEYOL-BPLDGKMQSA-N	0	0	236.355	3.672	1	30	endogenous,in-man	BHEFRN
C=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)CC=C(C)C)O1	ZINC000015163632	290786393	/nfs/dbraw/zinc/78/63/93/290786393.db2.gz	FJKKZNIYYVEYOL-NWANDNLSSA-N	0	0	236.355	3.672	1	30	endogenous,in-man	BHEFRN
C=C1c2ccoc2[C@@H](O)[C@@]2(C)[C@H](C)CC[C@@]12C	ZINC000015194568	290785764	/nfs/dbraw/zinc/78/57/64/290785764.db2.gz	NKYAXZRYVXNYFH-ZAOWEBSESA-N	0	0	232.323	3.782	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1	ZINC000015200726	560229167	/nfs/dbraw/zinc/22/91/67/560229167.db2.gz	WTOYNNBCKUYIKC-XUJVJEKNSA-N	0	0	218.340	3.904	1	30	endogenous,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CCC=C(C)[C@@]2(O)C1	ZINC000015206806	560229293	/nfs/dbraw/zinc/22/92/93/560229293.db2.gz	PWKUFWSNBDVOCV-KFWWJZLASA-N	0	0	220.356	3.840	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1C[C@@H]2C(C)=CCC[C@@]2(C)C[C@@H]1O	ZINC000015206841	560229310	/nfs/dbraw/zinc/22/93/10/560229310.db2.gz	ISCOVQFLLXCWHP-XGUBFFRZSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)CCC=C(C)[C@@H]2C1	ZINC000015206864	290783087	/nfs/dbraw/zinc/78/30/87/290783087.db2.gz	IVRQVIHZMLFDBK-AJNGGQMLSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@@]2(C)CC[C@@H](O)C(C)=C2C1	ZINC000015206913	571735293	/nfs/dbraw/zinc/73/52/93/571735293.db2.gz	APWLDLGOYJHNIK-CFVMTHIKSA-N	0	0	220.356	3.840	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@]2(C)CC[C@@H](O)C(C)=C2C1	ZINC000015206919	571735305	/nfs/dbraw/zinc/73/53/05/571735305.db2.gz	APWLDLGOYJHNIK-NWANDNLSSA-N	0	0	220.356	3.840	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC2=C(C)CCC[C@]2(C)[C@@H](O)C1	ZINC000015206942	560229308	/nfs/dbraw/zinc/22/93/08/560229308.db2.gz	IKGXPRLTFOMFQV-QEJZJMRPSA-N	0	0	220.356	3.840	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@@H](O)[C@]2(C)CC=C(C(C)C)C[C@@H]12	ZINC000015206975	560229295	/nfs/dbraw/zinc/22/92/95/560229295.db2.gz	FGPDTARJOXRWJD-RRFJBIMHSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)[C@@H]2C1	ZINC000015207063	290783067	/nfs/dbraw/zinc/78/30/67/290783067.db2.gz	OFAYIAUICPXDBC-QPSCCSFWSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1	ZINC000015207087	571735105	/nfs/dbraw/zinc/73/51/05/571735105.db2.gz	CZFHAODYOVXPIQ-XQLPTFJDSA-N	0	0	220.356	3.696	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1	ZINC000015207092	571735261	/nfs/dbraw/zinc/73/52/61/571735261.db2.gz	CZFHAODYOVXPIQ-BYNSBNAKSA-N	0	0	220.356	3.696	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1C=C2[C@](C)(O)CCC[C@]2(C)CC1	ZINC000015207216	188225454	/nfs/dbraw/zinc/22/54/54/188225454.db2.gz	NZGMCTHRDPVWIP-BPLDGKMQSA-N	0	0	220.356	3.840	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1C[C@@H]2C(C)=CCC[C@@]2(C)CC1=O	ZINC000015207411	560229284	/nfs/dbraw/zinc/22/92/84/560229284.db2.gz	YBACAHADKJZXPH-GUTXKFCHSA-N	0	0	218.340	3.904	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@H]2C1	ZINC000015207421	571735226	/nfs/dbraw/zinc/73/52/26/571735226.db2.gz	IVZATFCVCDHOLU-SNPRPXQTSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@H]2C1	ZINC000015207423	571735161	/nfs/dbraw/zinc/73/51/61/571735161.db2.gz	IVZATFCVCDHOLU-QEJZJMRPSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@]2(C)CC(=O)C=C(C)[C@@H]2C1	ZINC000015207426	571735220	/nfs/dbraw/zinc/73/52/20/571735220.db2.gz	IVZATFCVCDHOLU-VHDGCEQUSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C[C@@H]2C(C)=CC=C[C@@]2(C)CC1=O	ZINC000015208081	571736094	/nfs/dbraw/zinc/73/60/94/571736094.db2.gz	DVGWOFUZNUYQPS-HIFRSBDPSA-N	0	0	216.324	3.824	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C[C@H]2C(C)=CC=C[C@@]2(C)CC1=O	ZINC000015208084	571736061	/nfs/dbraw/zinc/73/60/61/571736061.db2.gz	DVGWOFUZNUYQPS-ZFWWWQNUSA-N	0	0	216.324	3.824	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C[C@@H]2C(C)=CC=C[C@]2(C)CC1=O	ZINC000015208086	571735949	/nfs/dbraw/zinc/73/59/49/571735949.db2.gz	DVGWOFUZNUYQPS-UKRRQHHQSA-N	0	0	216.324	3.824	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C[C@H]2C(C)=CC=C[C@]2(C)CC1=O	ZINC000015208088	571735928	/nfs/dbraw/zinc/73/59/28/571735928.db2.gz	DVGWOFUZNUYQPS-DZGCQCFKSA-N	0	0	216.324	3.824	1	30	endogenous,in-man	BHEFRN
C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]12	ZINC000015209483	571735798	/nfs/dbraw/zinc/73/57/98/571735798.db2.gz	MSJJKJCIFIGTJY-GBJTYRQASA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]12	ZINC000015209485	571735857	/nfs/dbraw/zinc/73/58/57/571735857.db2.gz	MSJJKJCIFIGTJY-KBUPBQIOSA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=C1CCC[C@@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]12	ZINC000015209486	571736042	/nfs/dbraw/zinc/73/60/42/571736042.db2.gz	MSJJKJCIFIGTJY-YJNKXOJESA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=C1CCC[C@@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]12	ZINC000015209488	571735705	/nfs/dbraw/zinc/73/57/05/571735705.db2.gz	MSJJKJCIFIGTJY-TUVASFSCSA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=C1CCC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	ZINC000015209561	290784771	/nfs/dbraw/zinc/78/47/71/290784771.db2.gz	BOPIMTNSYWYZOC-IPYPFGDCSA-N	0	0	222.372	3.920	1	30	biogenic,in-vitro	BHEFRN
Cc1coc2c1C(=O)C1=C(C)CC=C[C@]1(C)C2	ZINC000015221499	290788139	/nfs/dbraw/zinc/78/81/39/290788139.db2.gz	ZAUXXSQCVPKKPE-OAHLLOKOSA-N	0	0	228.291	3.610	1	30	biogenic,in-vitro	BHEFRN
Cc1coc2c1C(=O)C1=C(C)CCC[C@]1(C)C2	ZINC000015221652	290788135	/nfs/dbraw/zinc/78/81/35/290788135.db2.gz	NKPGPFRAHOCSPY-OAHLLOKOSA-N	0	0	230.307	3.834	1	30	biogenic,in-vitro	BHEFRN
CC(C)=C1CC(=O)[C@H](C)CCC=C(C)CC1=O	ZINC000015255944	571737591	/nfs/dbraw/zinc/73/75/91/571737591.db2.gz	ZYPUZCWWTYIGFV-HUMZTAOYSA-N	0	0	234.339	3.617	1	30	endogenous,in-man	BHEFRN
CC(C)=C1CC(=O)[C@@H](C)CCC=C(C)CC1=O	ZINC000015255947	560229660	/nfs/dbraw/zinc/22/96/60/560229660.db2.gz	ZYPUZCWWTYIGFV-BCMYLCSRSA-N	0	0	234.339	3.617	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@H](C)[C@]2(C1)O3	ZINC000015264178	571738445	/nfs/dbraw/zinc/73/84/45/571738445.db2.gz	RGRYQUWGSJPMMK-RMEBNNNOSA-N	0	0	220.356	3.936	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CCC(CO)=C2CC[C@H](C)[C@@H]2C1	ZINC000015264320	560229882	/nfs/dbraw/zinc/22/98/82/560229882.db2.gz	XDJJQGUABGVLLV-ZOWXZIJZSA-N	0	0	220.356	3.698	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CCC(C(=O)OC)=C2CC[C@@H](C)[C@H]2C1	ZINC000015264338	290783630	/nfs/dbraw/zinc/78/36/30/290783630.db2.gz	HOXPWZTVWIBECM-TYNCELHUSA-N	0	0	248.366	3.878	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@H](C)CC2=O	ZINC000015264553	571738630	/nfs/dbraw/zinc/73/86/30/571738630.db2.gz	NUWMTBMCSQWPDG-TUAOUCFPSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2=O	ZINC000015264555	571738436	/nfs/dbraw/zinc/73/84/36/571738436.db2.gz	NUWMTBMCSQWPDG-SRVKXCTJSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2=O	ZINC000015264560	571738635	/nfs/dbraw/zinc/73/86/35/571738635.db2.gz	NUWMTBMCSQWPDG-SDDRHHMPSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
CC(C)=C1C=C2[C@@H](C)CC[C@H]2[C@@H](C)CC1=O	ZINC000015264623	188253900	/nfs/dbraw/zinc/25/39/00/188253900.db2.gz	QOVRUHNFLAHBBB-SRVKXCTJSA-N	0	0	218.340	3.904	1	30		BHEFRN
C=CCCCCC/C=C/[C@H](O)C#CC#C/C=C\C	ZINC000015270001	571739291	/nfs/dbraw/zinc/73/92/91/571739291.db2.gz	BVVCAUWTOOENBU-DRMIUQBLSA-N	0	0	242.362	3.623	1	30	endogenous,in-man	BHEFRN
C=CCCCCC/C=C/[C@@H](O)C#CC#C/C=C\C	ZINC000015270004	571738995	/nfs/dbraw/zinc/73/89/95/571738995.db2.gz	BVVCAUWTOOENBU-VQTBBFSMSA-N	0	0	242.362	3.623	1	30	endogenous,in-man	BHEFRN
Cc1cccc(/C=N\N=C/c2cccc(C)c2)c1	ZINC000015986102	187416215	/nfs/dbraw/zinc/41/62/15/187416215.db2.gz	WHDOTVYJQXLOJU-WHYMJUELSA-N	0	0	236.318	3.756	1	30		BHEFRN
CCCCCCc1ccc(N/C=N/O)cc1	ZINC000026816993	581091765	/nfs/dbraw/zinc/09/17/65/581091765.db2.gz	OKLABFVDVTVNBC-UHFFFAOYSA-N	0	0	220.316	3.639	1	30		BHEFRN
CCCCc1ccc(N/C(C)=N\O)c(C)c1	ZINC000026817899	169020839	/nfs/dbraw/zinc/02/08/39/169020839.db2.gz	PGJARXNKNOMWCS-UHFFFAOYSA-N	0	0	220.316	3.557	1	30		BHEFRN
C=C1CCC(C(C)C)=C[C@H]2[C@H]1CC[C@]2(C)O	ZINC000026833103	187207409	/nfs/dbraw/zinc/20/74/09/187207409.db2.gz	BUPJOLXWQXEJSQ-KKUMJFAQSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
CC(=O)C1=CC[C@@H](CCc2ccccc2)CC1	ZINC000026833813	188283273	/nfs/dbraw/zinc/28/32/73/188283273.db2.gz	MTDXRQOJEWPJOL-OAHLLOKOSA-N	0	0	228.335	3.935	1	30		BHEFRN
C[C@@H]1C[C@@H]2CC(=O)C=CN2c2ccc(Cl)cc21	ZINC000027105815	132333972	/nfs/dbraw/zinc/33/39/72/132333972.db2.gz	YCLJIQZCIRKRBL-MWLCHTKSSA-N	0	0	247.725	3.509	1	30		BHEFRN
O=c1ccc2ccc(/C=N/c3ccccc3)cc2o1	ZINC000027714944	183001166	/nfs/dbraw/zinc/00/11/66/183001166.db2.gz	AEWCQXVOGPQULX-GZTJUZNOSA-N	0	0	249.269	3.544	1	30		BHEFRN
CCCSC(=NC)Nc1ccc(Cl)cc1	ZINC000028122333	169334708	/nfs/dbraw/zinc/33/47/08/169334708.db2.gz	CLUFBPYOGJNDIS-UHFFFAOYSA-N	0	0	242.775	3.690	1	30		BHEFRN
CCCSC(=NC)Nc1cccc(Cl)c1	ZINC000028133874	169335316	/nfs/dbraw/zinc/33/53/16/169335316.db2.gz	VPIZKCQBHBJVDJ-UHFFFAOYSA-N	0	0	242.775	3.690	1	30		BHEFRN
CCCSC(=NC)Nc1ccccc1Cl	ZINC000028343613	169335130	/nfs/dbraw/zinc/33/51/30/169335130.db2.gz	KVAYRWNVYRULCP-UHFFFAOYSA-N	0	0	242.775	3.690	1	30		BHEFRN
N#CCc1ccc(-c2ccccc2Cl)o1	ZINC000028564272	181048198	/nfs/dbraw/zinc/04/81/98/181048198.db2.gz	JONVMIWKIWKSNS-UHFFFAOYSA-N	0	0	217.655	3.666	1	30		BHEFRN
Cc1nc2cc(N=Cc3ccc(C)cc3)ccc2[nH]1	ZINC000028652001	188283807	/nfs/dbraw/zinc/28/38/07/188283807.db2.gz	GCBORUQPAAPZGJ-YVLHZVERSA-N	0	0	249.317	3.930	1	30		BHEFRN
N#Cc1sc2ccccc2c1-c1cccnc1	ZINC000028816755	181178691	/nfs/dbraw/zinc/17/86/91/181178691.db2.gz	IWQDJUPKFGMRRI-UHFFFAOYSA-N	0	0	236.299	3.835	1	30		BHEFRN
N#Cc1ccc2c(c1)nc1ccc3ccccc3n12	ZINC000028869173	181132720	/nfs/dbraw/zinc/13/27/20/181132720.db2.gz	YAMDPDAIJLZHOC-UHFFFAOYSA-N	0	0	243.269	3.512	1	30		BHEFRN
N#Cc1ccc2[nH]c(C=Cc3ccccc3)nc2c1	ZINC000028869380	181130955	/nfs/dbraw/zinc/13/09/55/181130955.db2.gz	FARVTWKKNLTOMZ-VQHVLOKHSA-N	0	0	245.285	3.605	1	30		BHEFRN
N#Cc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1	ZINC000028869383	188283802	/nfs/dbraw/zinc/28/38/02/188283802.db2.gz	LQQZSYBHBCWVFK-MDZDMXLPSA-N	0	0	245.285	3.605	1	30		BHEFRN
C=C(C)[C@@H]1CC=C(CCOC(=O)CC)CC1	ZINC000029042712	187885215	/nfs/dbraw/zinc/88/52/15/187885215.db2.gz	FHCSIKMFBWKCRC-CYBMUJFWSA-N	0	0	222.328	3.632	1	30		BHEFRN
C=C(C)[C@H]1CC=C(CCOC(=O)CC)CC1	ZINC000029042714	187207737	/nfs/dbraw/zinc/20/77/37/187207737.db2.gz	FHCSIKMFBWKCRC-ZDUSSCGKSA-N	0	0	222.328	3.632	1	30		BHEFRN
N#Cc1c2ccccc2c2cnc3ccccc3n12	ZINC000029051678	181079150	/nfs/dbraw/zinc/07/91/50/181079150.db2.gz	LZARMDRVDTZZHV-UHFFFAOYSA-N	0	0	243.269	3.512	1	30		BHEFRN
C=CC[C@H](Nc1ccccc1)c1ccncc1	ZINC000029057934	187372252	/nfs/dbraw/zinc/37/22/52/187372252.db2.gz	QMWXVFBZAPINLI-HNNXBMFYSA-N	0	0	224.307	3.811	1	30		BHEFRN
CC(C)=CCCc1ccc2c(c1)C(=O)C=CC2=O	ZINC000029550821	560091394	/nfs/dbraw/zinc/09/13/94/560091394.db2.gz	LYCONGPDLAMOQE-UHFFFAOYSA-N	0	0	240.302	3.521	1	30	biogenic,in-vitro	BHEFRN
C=C1CC/C=C(\C)C(=O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000031768642	290784777	/nfs/dbraw/zinc/78/47/77/290784777.db2.gz	KXSUIPOSVGSLQP-PGJRDNSLSA-N	0	0	218.340	3.904	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC/C(C)=C/CCC2=C[C@@H]1OC2=O	ZINC000033807704	560088984	/nfs/dbraw/zinc/08/89/84/560088984.db2.gz	FGWWKPRDQNGBKN-ZKZSOYRCSA-N	0	0	232.323	3.551	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2[C@H]1CC2(C)C	ZINC000033830103	187720934	/nfs/dbraw/zinc/72/09/34/187720934.db2.gz	NVEQFIOZRFFVFW-XFMPKHEZSA-N	0	0	220.356	3.936	1	30	endogenous,in-man	BHEFRN
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000033830104	188081651	/nfs/dbraw/zinc/08/16/51/188081651.db2.gz	NVEQFIOZRFFVFW-CXTNEJHOSA-N	0	0	220.356	3.936	1	30		BHEFRN
C=C(CO)[C@@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1	ZINC000033830342	571747061	/nfs/dbraw/zinc/74/70/61/571747061.db2.gz	FKWGZOFNSIESOX-KFWWJZLASA-N	0	0	220.356	3.698	1	30	endogenous,in-man	BHEFRN
C=C(CO)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@H]2C1	ZINC000033830343	571746994	/nfs/dbraw/zinc/74/69/94/571746994.db2.gz	FKWGZOFNSIESOX-RBSFLKMASA-N	0	0	220.356	3.698	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@H](C)[C@]23CC[C@H](C)[C@@]2(C1)O3	ZINC000033831022	574414102	/nfs/dbraw/zinc/41/41/02/574414102.db2.gz	RGRYQUWGSJPMMK-VQJWOFKYSA-N	0	0	220.356	3.936	1	30	endogenous,in-man	BHEFRN
C=C[C@]1(C)CC[C@@H](CO)C(C)(C)[C@@H]1C(=C)C	ZINC000033831083	290786392	/nfs/dbraw/zinc/78/63/92/290786392.db2.gz	OUHIEGFKRWELJI-KCQAQPDRSA-N	0	0	222.372	3.800	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)C=CC[C@@H]2C	ZINC000033832116	560088417	/nfs/dbraw/zinc/08/84/17/560088417.db2.gz	LJZMUACYVPDSPJ-NJZAAPMLSA-N	0	0	216.324	3.680	1	30	biogenic,in-vitro	BHEFRN
C=C1CC=C[C@]2(C)Cc3occ(C)c3C[C@H]12	ZINC000033832289	290784769	/nfs/dbraw/zinc/78/47/69/290784769.db2.gz	BZQURGSQMBBPRU-UKRRQHHQSA-N	0	0	214.308	3.825	1	30	biogenic,in-vitro	BHEFRN
C=C[C@]1(C)[C@@H](O)CC(=C(C)C)C[C@H]1C(=C)C	ZINC000033832805	560088220	/nfs/dbraw/zinc/08/82/20/560088220.db2.gz	NXYYOMZNPGACRA-KKUMJFAQSA-N	0	0	220.356	3.862	1	30	biogenic,in-vitro	BHEFRN
CC1=CC(=O)C=C2C=C[C@@H](C(C)C)C[C@@]12C	ZINC000033832927	290788563	/nfs/dbraw/zinc/78/85/63/290788563.db2.gz	YKYFDKNMHUSVIH-DOMZBBRYSA-N	0	0	216.324	3.680	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H](C)[C@H]2C1	ZINC000033833350	571747211	/nfs/dbraw/zinc/74/72/11/571747211.db2.gz	VYOZKWKETGHHDW-KJWHEZOQSA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@H](C)[C@H]2C1	ZINC000033833351	571747169	/nfs/dbraw/zinc/74/71/69/571747169.db2.gz	VYOZKWKETGHHDW-NJVJYBDUSA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@@H](C)[C@H]2C1	ZINC000033833352	571747056	/nfs/dbraw/zinc/74/70/56/571747056.db2.gz	VYOZKWKETGHHDW-ARILJUKYSA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@H](C)[C@H]2C1	ZINC000033833353	571747016	/nfs/dbraw/zinc/74/70/16/571747016.db2.gz	VYOZKWKETGHHDW-VYDRJRHOSA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=CCC/C=C/CC/C=C\CCC(=O)OC	ZINC000033834096	290785762	/nfs/dbraw/zinc/78/57/62/290785762.db2.gz	CBXFSJPKRGHKGL-WFKFFMJQSA-N	0	0	222.328	3.798	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC(=O)[C@@]2(C)CCC=C(C)[C@@H]2C1	ZINC000033952864	560087796	/nfs/dbraw/zinc/08/77/96/560087796.db2.gz	NCURUZQWQGIRTM-YDHLFZDLSA-N	0	0	218.340	3.904	1	30	biogenic,in-vitro	BHEFRN
C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@@H]12	ZINC000033986117	290784776	/nfs/dbraw/zinc/78/47/76/290784776.db2.gz	MSJJKJCIFIGTJY-LJISPDSOSA-N	0	0	222.372	3.776	1	30	biogenic,in-vitro	BHEFRN
C=C1CC/C=C(\C)[C@H](O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000034062223	188060602	/nfs/dbraw/zinc/06/06/02/188060602.db2.gz	OIEGRICJBAVBOD-WGAXFZFBSA-N	0	0	220.356	3.696	1	30		BHEFRN
C=C1CC/C=C(/C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000034062224	187286902	/nfs/dbraw/zinc/28/69/02/187286902.db2.gz	OIEGRICJBAVBOD-BMYQMPQMSA-N	0	0	220.356	3.696	1	30		BHEFRN
C=C1CC[C@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000034062226	188234058	/nfs/dbraw/zinc/23/40/58/188234058.db2.gz	NVEQFIOZRFFVFW-BHPKHCPMSA-N	0	0	220.356	3.936	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@]2(C)[C@H](O)CCC(=C)[C@@H]2C1	ZINC000034146245	560087445	/nfs/dbraw/zinc/08/74/45/560087445.db2.gz	CORHHSPHLRPKPM-LXTVHRRPSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C[C@H]1C(=O)C=C2[C@H]1CC(C)(C)C[C@H]1C[C@@]21C	ZINC000034181528	177056086	/nfs/dbraw/zinc/05/60/86/177056086.db2.gz	NJTKXUKZKQTHNI-DZHLUBAWSA-N	0	0	218.340	3.594	1	30		BHEFRN
C=C1CC[C@@H](C(C)C)[C@H]2[C@H]1CC[C@@H]2C(C)=O	ZINC000034212910	560087487	/nfs/dbraw/zinc/08/74/87/560087487.db2.gz	YKWVCZPTAAKDIY-XQLPTFJDSA-N	0	0	220.356	3.840	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@]2(C1)C(C)=CC(=O)C[C@H]2C	ZINC000034217434	571749711	/nfs/dbraw/zinc/74/97/11/571749711.db2.gz	FGCUSSRGQNHZRW-IPYPFGDCSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C	ZINC000034217435	571749951	/nfs/dbraw/zinc/74/99/51/571749951.db2.gz	FGCUSSRGQNHZRW-VNHYZAJKSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=C1CCC(=O)[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000034256113	187885320	/nfs/dbraw/zinc/88/53/20/187885320.db2.gz	GWBJPNAWYMBRLQ-YNEHKIRRSA-N	0	0	220.356	3.984	1	30		BHEFRN
C=C(C)[C@@H]1CCC(=C)[C@@H]2C[C@H](O)[C@@H](C)C[C@@H]12	ZINC000034482447	560087182	/nfs/dbraw/zinc/08/71/82/560087182.db2.gz	UKBHXNAMSQAJDR-YTFOTSKYSA-N	0	0	220.356	3.552	1	30	biogenic,in-vitro	BHEFRN
Cc1cccc(C#CCSc2ccccc2)n1	ZINC000034485593	187208476	/nfs/dbraw/zinc/20/84/76/187208476.db2.gz	QPGKAVMWBQPWGX-UHFFFAOYSA-N	0	0	239.343	3.534	1	30	in-vivo	BHEFRN
C=C1CC[C@@H](C(C)C)[C@@H]2C[C@@H](C)[C@H](O)C[C@@H]12	ZINC000034521216	560087251	/nfs/dbraw/zinc/08/72/51/560087251.db2.gz	HMNKVQOCUYFAGU-CAEXGNQWSA-N	0	0	222.372	3.632	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@](C)(O)C2=CC[C@H](C)[C@@H]2C1	ZINC000034542327	560087072	/nfs/dbraw/zinc/08/70/72/560087072.db2.gz	FUYXRMXBYTXILX-SFDCQRBFSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
CC1=C(C)[C@]23CC[C@H](C)[C@H]2CC[C@]3(C)C1=O	ZINC000034563698	290788152	/nfs/dbraw/zinc/78/81/52/290788152.db2.gz	WRSMTJOLBOXBOD-ZEQHWRKHSA-N	0	0	218.340	3.738	1	30	biogenic	BHEFRN
CC1=C2C(=O)[C@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C	ZINC000034597596	560087076	/nfs/dbraw/zinc/08/70/76/560087076.db2.gz	JAWSHISYWRRQQQ-HFAKWTLXSA-N	0	0	218.340	3.738	1	30	biogenic,in-vitro	BHEFRN
COc1cc(Oc2ccccc2C)ccc1C#N	ZINC000034639052	175013487	/nfs/dbraw/zinc/01/34/87/175013487.db2.gz	QZFFCZYDLZAYFR-UHFFFAOYSA-N	0	0	239.274	3.668	1	30	in-vivo	BHEFRN
Cc1cccc(C)c1/C=C/c1cncc(C#N)c1	ZINC000036187614	179028427	/nfs/dbraw/zinc/02/84/27/179028427.db2.gz	HBEMKNJHSCJGLQ-VOTSOKGWSA-N	0	0	234.302	3.741	1	30		BHEFRN
Cc1cccc(C#CC[C@@H](C)c2ccccc2)n1	ZINC000036373611	188278694	/nfs/dbraw/zinc/27/86/94/188278694.db2.gz	QVXDBDKPSMNGHQ-CQSZACIVSA-N	0	0	235.330	3.935	1	30	in-vivo	BHEFRN
Cc1cccc(C#CC[C@H](C)c2ccccc2)n1	ZINC000036373612	188459348	/nfs/dbraw/zinc/45/93/48/188459348.db2.gz	QVXDBDKPSMNGHQ-AWEZNQCLSA-N	0	0	235.330	3.935	1	30	in-vivo	BHEFRN
C=C(C)[C@@H]1CCC(=C)[C@]2(O)CC[C@H](C)[C@@H]2C1	ZINC000036405358	560086782	/nfs/dbraw/zinc/08/67/82/560086782.db2.gz	AAKQHTLAXTYKFW-PMOUVXMZSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
CC1(C)[C@H]2C[C@@H]1C(=O)C=C2/C=C/c1ccccc1	ZINC000038237324	188290949	/nfs/dbraw/zinc/29/09/49/188290949.db2.gz	IQXHMIKOFMTJCX-MATWNZDUSA-N	0	0	238.330	3.871	1	30		BHEFRN
C[C@H]1CC(=O)C=C(Nc2cccc(Cl)c2)C1	ZINC000038254956	188116629	/nfs/dbraw/zinc/11/66/29/188116629.db2.gz	OLBQAOCLHNMLKM-SECBINFHSA-N	0	0	235.714	3.635	1	30		BHEFRN
CC(C)[C@H]1CC[C@@H](C)[C@@H]2CCC(=O)C=C12	ZINC000038283738	188290935	/nfs/dbraw/zinc/29/09/35/188290935.db2.gz	AQNMVDGKNNYAEW-RTXFEEFZSA-N	0	0	206.329	3.594	1	30		BHEFRN
C=C(C)[C@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C)[C@H]2C1	ZINC000038351164	290783627	/nfs/dbraw/zinc/78/36/27/290783627.db2.gz	VYOZKWKETGHHDW-KHMAMNHCSA-N	0	0	222.372	3.776	1	30	biogenic,in-vitro	BHEFRN
CC1C=C(N=Nc2ccccc2Cl)CC1	ZINC000038374494	168090091	/nfs/dbraw/zinc/09/00/91/168090091.db2.gz	JNYRRCAMDARRFV-GXDHUFHOSA-N	0	0	220.703	3.848	1	30		BHEFRN
C=C1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=O	ZINC000038676463	187262619	/nfs/dbraw/zinc/26/26/19/187262619.db2.gz	NOTUMAFJLQEUEE-DUVNUKRYSA-N	0	0	248.366	3.553	1	30		BHEFRN
C=CCC#CC#C[C@@H](O)/C=C\CCCCCC=C	ZINC000038765178	290785769	/nfs/dbraw/zinc/78/57/69/290785769.db2.gz	AOVBGZVPTYLNNI-YHKKIHSWSA-N	0	0	242.362	3.623	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1C[C@@H]2C(C)=CCC[C@]2(C)[C@@H](O)C1	ZINC000038812947	560085886	/nfs/dbraw/zinc/08/58/86/560085886.db2.gz	IVRQVIHZMLFDBK-XGUBFFRZSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@@H](C(C)C)[C@@H]2C[C@H](C)[C@@H](O)C[C@@H]12	ZINC000039150146	560081763	/nfs/dbraw/zinc/08/17/63/560081763.db2.gz	HMNKVQOCUYFAGU-YTFOTSKYSA-N	0	0	222.372	3.632	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@@H](C(C)C)[C@@H]2C[C@H](C)C(=O)C[C@@H]12	ZINC000039169933	560081836	/nfs/dbraw/zinc/08/18/36/560081836.db2.gz	YXYPLDHJBJSHKO-XUXIUFHCSA-N	0	0	220.356	3.840	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@@H](C(C)C)[C@@H]2C[C@H](C)[C@H](O)C[C@@H]12	ZINC000039170112	560081846	/nfs/dbraw/zinc/08/18/46/560081846.db2.gz	HMNKVQOCUYFAGU-YYFQZIEXSA-N	0	0	222.372	3.632	1	30	biogenic,in-vitro	BHEFRN
C=C1CC=C[C@@]2(C)Cc3occ(C)c3C[C@@H]12	ZINC000039205663	290784774	/nfs/dbraw/zinc/78/47/74/290784774.db2.gz	BZQURGSQMBBPRU-ZFWWWQNUSA-N	0	0	214.308	3.825	1	30	biogenic,in-vitro	BHEFRN
C=CCCCCC/C=C\[C@@H](O)C#CC#C/C=C/C	ZINC000040379384	188042975	/nfs/dbraw/zinc/04/29/75/188042975.db2.gz	BVVCAUWTOOENBU-LYBYXUKMSA-N	0	0	242.362	3.623	1	30		BHEFRN
O=C(/C=C/C1=CCCC=C1)C1=CC=CCC1	ZINC000040392004	181829881	/nfs/dbraw/zinc/82/98/81/181829881.db2.gz	DZWUBJQDQFKBCH-VAWYXSNFSA-N	0	0	212.292	3.665	1	30		BHEFRN
C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@H](C)[C@@H]2C1	ZINC000040393034	187354732	/nfs/dbraw/zinc/35/47/32/187354732.db2.gz	VYOZKWKETGHHDW-AIEDFZFUSA-N	0	0	222.372	3.776	1	30		BHEFRN
Cc1csc(/N=C/c2ccccc2C)n1	ZINC000040575984	179761577	/nfs/dbraw/zinc/76/15/77/179761577.db2.gz	RWWWHRYHNQVVLL-NTUHNPAUSA-N	0	0	216.309	3.511	1	30		BHEFRN
C=C(C)[C@@H]1CC(=O)c2cc(Cl)ccc2S1	ZINC000040835117	188397121	/nfs/dbraw/zinc/39/71/21/188397121.db2.gz	YRYAOZIIMQAREJ-LBPRGKRZSA-N	0	0	238.739	3.963	1	30		BHEFRN
CC(=O)CC/C(=C/C1=C(C)CCC1=O)C(C)C	ZINC000040872768	187428562	/nfs/dbraw/zinc/42/85/62/187428562.db2.gz	OHMUFLMVZOSQEE-LCYFTJDESA-N	0	0	234.339	3.617	1	30	biogenic,in-vitro	BHEFRN
COc1cc(SCCC(C)C)ccc1C#N	ZINC000040873725	175013046	/nfs/dbraw/zinc/01/30/46/175013046.db2.gz	XWPLSLIGOKRGBS-UHFFFAOYSA-N	0	0	235.352	3.705	1	30	in-vivo	BHEFRN
C=C(C)[C@@H]1CC=C2[C@@H](O)CC[C@@H](C)[C@]2(C)C1	ZINC000040950268	560078772	/nfs/dbraw/zinc/07/87/72/560078772.db2.gz	NJWPLFBOSCSZFA-UXOAXIEHSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@H]2C1	ZINC000040950270	188215939	/nfs/dbraw/zinc/21/59/39/188215939.db2.gz	CZFHAODYOVXPIQ-TUVASFSCSA-N	0	0	220.356	3.696	1	30		BHEFRN
COc1cc(Oc2cccc(C)c2)ccc1C#N	ZINC000040950405	175012899	/nfs/dbraw/zinc/01/28/99/175012899.db2.gz	NXORRFHUCGSBOI-UHFFFAOYSA-N	0	0	239.274	3.668	1	30	in-vivo	BHEFRN
COc1cc(Oc2ccc(C)cc2)ccc1C#N	ZINC000040980021	175012839	/nfs/dbraw/zinc/01/28/39/175012839.db2.gz	UIOZKPIEPDRGOC-UHFFFAOYSA-N	0	0	239.274	3.668	1	30	in-vivo	BHEFRN
CCCCCC/C=C/c1cc(C)oc(=O)c1	ZINC000043300174	187267538	/nfs/dbraw/zinc/26/75/38/187267538.db2.gz	DYXMSOXQSDCVPE-CMDGGOBGSA-N	0	0	220.312	3.932	1	30		BHEFRN
CCCCCCCCc1cc(C)oc(=O)c1	ZINC000043356584	188121598	/nfs/dbraw/zinc/12/15/98/188121598.db2.gz	PHBVZSWTIYRPBU-UHFFFAOYSA-N	0	0	222.328	3.851	1	30		BHEFRN
CCCCCC/C=C/C=C/C#CC#CCCCO	ZINC000043382054	188257910	/nfs/dbraw/zinc/25/79/10/188257910.db2.gz	ZKUCSQMMDJDRPK-XBLVEGMJSA-N	0	0	244.378	3.849	1	30		BHEFRN
C/C=C/C=C/C(=O)OCCCCCCC	ZINC000044280211	187606038	/nfs/dbraw/zinc/60/60/38/187606038.db2.gz	PVYDNTQQXSOPEP-HBWGMBCBSA-N	0	0	210.317	3.632	1	30		BHEFRN
CC(/C=N/O)=C\c1ccc(C(C)(C)C)cc1	ZINC000045336634	188480581	/nfs/dbraw/zinc/48/05/81/188480581.db2.gz	PHUKDWIKVLATRS-VMPIADEKSA-N	0	0	217.312	3.847	1	30		BHEFRN
N#Cc1c2ccccc2sc1-c1cccnc1	ZINC000045348287	181073053	/nfs/dbraw/zinc/07/30/53/181073053.db2.gz	ZJHBTMORSUQBOA-UHFFFAOYSA-N	0	0	236.299	3.835	1	30		BHEFRN
N#Cc1c2ccccc2sc1-c1ccccn1	ZINC000045390643	181073078	/nfs/dbraw/zinc/07/30/78/181073078.db2.gz	ZJXMLZLWCVUYQN-UHFFFAOYSA-N	0	0	236.299	3.835	1	30		BHEFRN
CCC(=N\O)/C(C)=C/c1cnc2ccccc2c1	ZINC000049035596	168196517	/nfs/dbraw/zinc/19/65/17/168196517.db2.gz	YWYZXTKXILWZEC-LDRANXPESA-N	0	0	240.306	3.878	1	30		BHEFRN
CCC(=N\O)/C(C)=C/c1cncc2ccccc12	ZINC000049036163	168197321	/nfs/dbraw/zinc/19/73/21/168197321.db2.gz	XRLZTPIIZFEVLO-JDRYRXCOSA-N	0	0	240.306	3.878	1	30		BHEFRN
CCc1c[nH]c(CC)c1Oc1ccc(C#N)cc1	ZINC000049112168	171744858	/nfs/dbraw/zinc/74/48/58/171744858.db2.gz	XXYHXMUPGLKKGE-UHFFFAOYSA-N	0	0	240.306	3.803	1	30	in-vivo	BHEFRN
O=C1c2ccccc2N/C1=C/N=N/c1ccccc1	ZINC000049785008	182711430	/nfs/dbraw/zinc/71/14/30/182711430.db2.gz	MMKAEOPIGSJKFO-WVTXTPTHSA-N	0	0	249.273	3.920	1	30		BHEFRN
C=C1CC[C@H](C)C(C)=C[C@H]2[C@H]1CC[C@]2(C)O	ZINC000049785941	187357705	/nfs/dbraw/zinc/35/77/05/187357705.db2.gz	LMBNOBPWWFAPHY-HJPIBITLSA-N	0	0	220.356	3.696	1	30		BHEFRN
C=C[C@]1(C)CC/C=C(/C)CC[C@@H](C(C)(C)O)O1	ZINC000049792902	187357151	/nfs/dbraw/zinc/35/71/51/187357151.db2.gz	LWYUSWLRBKNRLB-UGQYRENISA-N	0	0	238.371	3.608	1	30		BHEFRN
C=C[C@@]1(C)CC/C=C(/C)CC[C@H](C(C)(C)O)O1	ZINC000049792905	188046416	/nfs/dbraw/zinc/04/64/16/188046416.db2.gz	LWYUSWLRBKNRLB-AHTUEQHWSA-N	0	0	238.371	3.608	1	30		BHEFRN
CC(C)(C)C1=CC(=O)C(C2CCCCC2)=CC1=O	ZINC000049803562	166539637	/nfs/dbraw/zinc/53/96/37/166539637.db2.gz	SYEKXJSPUQRMOF-UHFFFAOYSA-N	0	0	246.350	3.617	1	30		BHEFRN
N#Cc1cc2ccsc2n2c3ccccc3nc12	ZINC000049807888	181094320	/nfs/dbraw/zinc/09/43/20/181094320.db2.gz	BSCZYYHQLWQQBZ-UHFFFAOYSA-N	0	0	249.298	3.574	1	30		BHEFRN
C=C(C)[C@@H]1CCCC2=C3[C@@H](C[C@H](C)[C@@H]3C1)OC2=O	ZINC000059585842	560083142	/nfs/dbraw/zinc/08/31/42/560083142.db2.gz	CARIPAAQQKWUCB-UZGDPCLZSA-N	0	0	246.350	3.631	1	30	biogenic,in-vitro	BHEFRN
CC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1=O)C3(C)C	ZINC000059586333	290788560	/nfs/dbraw/zinc/78/85/60/290788560.db2.gz	GIGKXOAUYMWORB-OSQNNJELSA-N	0	0	218.340	3.738	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@]2(C=CC(=O)C[C@H]2C)C1	ZINC000059587841	290783122	/nfs/dbraw/zinc/78/31/22/290783122.db2.gz	HPMLWJWXLHFPSW-BZPMIXESSA-N	0	0	204.313	3.514	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@H]2O[C@@]2(C)CC[C@@H]2[C@H]1CC2(C)C	ZINC000059588164	560082630	/nfs/dbraw/zinc/08/26/30/560082630.db2.gz	NVEQFIOZRFFVFW-JLNYLFASSA-N	0	0	220.356	3.936	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@@H]2C	ZINC000062612105	571772170	/nfs/dbraw/zinc/77/21/70/571772170.db2.gz	FGCUSSRGQNHZRW-KCQAQPDRSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
Cc1ccc(/N=C/c2cc(F)ccc2O)cc1	ZINC000064474976	178359513	/nfs/dbraw/zinc/35/95/13/178359513.db2.gz	KIMMCGQHRVLIAC-CXUHLZMHSA-N	0	0	229.254	3.590	1	30		BHEFRN
Oc1ccc(F)cc1/C=N/c1ccc(Cl)cc1	ZINC000064479775	183274402	/nfs/dbraw/zinc/27/44/02/183274402.db2.gz	NGRMDAGVXIROSG-LZYBPNLTSA-N	0	0	249.672	3.935	1	30		BHEFRN
Oc1ccc(F)cc1/C=N/c1ccccc1Cl	ZINC000064490604	183275569	/nfs/dbraw/zinc/27/55/69/183275569.db2.gz	AJYCTBQDHHCRDR-LZYBPNLTSA-N	0	0	249.672	3.935	1	30		BHEFRN
Oc1ccc(F)cc1/C=N/CC1CCCCC1	ZINC000064490698	183275609	/nfs/dbraw/zinc/27/56/09/183275609.db2.gz	NTVRENARHPBCQC-MHWRWJLKSA-N	0	0	235.302	3.531	1	30		BHEFRN
C=C1C(=O)O[C@H](c2ccc3ccccc3c2)[C@H]1C	ZINC000064539385	187362234	/nfs/dbraw/zinc/36/22/34/187362234.db2.gz	MAZLWSOJDBWWHV-BONVTDFDSA-N	0	0	238.286	3.630	1	30		BHEFRN
C/C(=N\c1nc2ccccc2[nH]1)c1ccccc1	ZINC000066100217	188129390	/nfs/dbraw/zinc/12/93/90/188129390.db2.gz	DHEUWKXLEIIOBA-LFIBNONCSA-N	0	0	235.290	3.704	1	30		BHEFRN
C=CCOc1ccccc1C(=C)/C=C/C	ZINC000069482178	290785904	/nfs/dbraw/zinc/78/59/04/290785904.db2.gz	NNZPVLUHKSVBET-XBXARRHUSA-N	0	0	200.281	3.841	1	30	biogenic,in-vitro	BHEFRN
CC1=CC(=O)[C@@H]2C[C@]13C[C@@H](C(C)C)CC[C@@]23C	ZINC000069482460	290788577	/nfs/dbraw/zinc/78/85/77/290788577.db2.gz	JIVNCYKRHXSPEU-DARAHFNDSA-N	0	0	232.367	3.984	1	30	biogenic,in-vitro	BHEFRN
C=C(C(=O)OC)[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@@H]12	ZINC000070451158	560048853	/nfs/dbraw/zinc/04/88/53/560048853.db2.gz	AOBAHYLCIGMCHX-PMOUVXMZSA-N	0	0	248.366	3.734	1	30	biogenic,in-vitro	BHEFRN
C=C1/C=C\C[C@H](C)CC(=O)c2c(C)coc2C1	ZINC000070451217	560048851	/nfs/dbraw/zinc/04/88/51/560048851.db2.gz	KIOIOKFCSBQUGC-OAQKJQOQSA-N	0	0	230.307	3.856	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)CC(C)=C2C1	ZINC000070451264	290783120	/nfs/dbraw/zinc/78/31/20/290783120.db2.gz	NFZWWJWNBXICBW-UMVBOHGHSA-N	0	0	220.356	3.840	1	30	biogenic,in-vitro	BHEFRN
CC1=C2C(=O)C=C(C)CC/C=C(\C)C[C@@H]2OC1	ZINC000070454140	290789231	/nfs/dbraw/zinc/78/92/31/290789231.db2.gz	FIRLDHBYAZBYTC-QHWOMCTCSA-N	0	0	232.323	3.551	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@@H](C(C)C)C[C@@H]2[C@H]1CC[C@]2(C)O	ZINC000070454235	560048555	/nfs/dbraw/zinc/04/85/55/560048555.db2.gz	PFCPFINCEOMQFY-BARDWOONSA-N	0	0	222.372	3.776	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC(=O)C(C)=C2CC[C@@H](C)[C@H]2C1	ZINC000070454369	560048328	/nfs/dbraw/zinc/04/83/28/560048328.db2.gz	YMXAKLYWISOQCM-MPKXVKKWSA-N	0	0	218.340	3.904	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CCC(CO)=C2CC[C@@H](C)[C@H]2C1	ZINC000070454372	290783628	/nfs/dbraw/zinc/78/36/28/290783628.db2.gz	XDJJQGUABGVLLV-TYNCELHUSA-N	0	0	220.356	3.698	1	30	biogenic,in-vitro	BHEFRN
C=C[C@@]1(C)CC[C@H](CO)C(C)(C)[C@H]1C(=C)C	ZINC000070454456	560048279	/nfs/dbraw/zinc/04/82/79/560048279.db2.gz	OUHIEGFKRWELJI-NFAWXSAZSA-N	0	0	222.372	3.800	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@]2(C)O[C@]23CC[C@H](C)[C@@H]3C1	ZINC000070454469	560048323	/nfs/dbraw/zinc/04/83/23/560048323.db2.gz	OQZCYVPJJHEMSP-YTFOTSKYSA-N	0	0	220.356	3.936	1	30	biogenic,in-vitro	BHEFRN
C=C[C@@]1(C)CC[C@@H](C(C)(C)O)C[C@@H]1C(=C)C	ZINC000070455154	290785915	/nfs/dbraw/zinc/78/59/15/290785915.db2.gz	GFJIQNADMLPFOW-NFAWXSAZSA-N	0	0	222.372	3.942	1	30	biogenic,in-vitro	BHEFRN
CC(C)=CCC1(CC=C(C)C)C[C@@H](O)C=CC1=O	ZINC000071296605	188488262	/nfs/dbraw/zinc/48/82/62/188488262.db2.gz	DHMJQJOXFBGZRW-AWEZNQCLSA-N	0	0	248.366	3.575	1	30		BHEFRN
C=C[C@]1(O)CC[C@@]2(C)[C@H](C)CC[C@@]2(C)[C@@H]1C	ZINC000071317114	187532887	/nfs/dbraw/zinc/53/28/87/187532887.db2.gz	TUCSIUBDOHTKKQ-QTVXIADOSA-N	0	0	222.372	3.776	1	30		BHEFRN
Cc1ccc(/C=C2\CCC[C@H](C)C2=O)cc1	ZINC000071317436	178355337	/nfs/dbraw/zinc/35/53/37/178355337.db2.gz	STYHXCXZDYTYSE-LQELWAHVSA-N	0	0	214.308	3.768	1	30		BHEFRN
Cc1ccc(/C=C2\CCC[C@@H](C)C2=O)cc1	ZINC000071317437	178355995	/nfs/dbraw/zinc/35/59/95/178355995.db2.gz	STYHXCXZDYTYSE-HLVNSREUSA-N	0	0	214.308	3.768	1	30		BHEFRN
N#Cc1ccc2[nH]cc(/C=C/c3cccnc3)c2c1	ZINC000072108653	181131266	/nfs/dbraw/zinc/13/12/66/181131266.db2.gz	YLUBXVCLLCCQQC-HWKANZROSA-N	0	0	245.285	3.605	1	30		BHEFRN
C=C(C)[C@H](O)/C=C\c1ccc(C(F)(F)F)cc1	ZINC000073044186	187359867	/nfs/dbraw/zinc/35/98/67/187359867.db2.gz	BSAKFIBWNHXYCK-VVEJJEBESA-N	0	0	242.240	3.656	1	30		BHEFRN
CCCCCCCCn1oc2ccccc2c1=O	ZINC000073162047	188490980	/nfs/dbraw/zinc/49/09/80/188490980.db2.gz	QNQKKJGEYQECBB-UHFFFAOYSA-N	0	0	247.338	3.955	1	30		BHEFRN
C=C(C)[C@H](C)N(O)c1ncc(Cl)cc1Cl	ZINC000073196854	187359155	/nfs/dbraw/zinc/35/91/55/187359155.db2.gz	PFDVCIQKGPMISQ-ZETCQYMHSA-N	0	0	247.125	3.549	1	30		BHEFRN
C#Cc1ccc2ccc3ccccc3c2c1	ZINC000073224463	188221153	/nfs/dbraw/zinc/22/11/53/188221153.db2.gz	LOGSUFFLSMEOEC-UHFFFAOYSA-N	0	0	202.256	3.974	1	30		BHEFRN
N#Cc1ccc(Nc2ccc3ccccc3n2)cc1	ZINC000082157644	181126905	/nfs/dbraw/zinc/12/69/05/181126905.db2.gz	JZDNZCWNJDKQQY-UHFFFAOYSA-N	0	0	245.285	3.850	1	30		BHEFRN
CC1=CC(=O)[C@H]2CC[C@H](C(C)C)[C@@]2(C)CC1	ZINC000084707006	168092541	/nfs/dbraw/zinc/09/25/41/168092541.db2.gz	YJMPMKVSGMSRFT-UMVBOHGHSA-N	0	0	220.356	3.984	1	30		BHEFRN
C=CCCCC/C=C\C=C\C#CC#CC#CC	ZINC000085507985	290785766	/nfs/dbraw/zinc/78/57/66/290785766.db2.gz	LEQCZKIMKYGCIQ-OBJKYRPYSA-N	0	0	222.331	3.875	1	30	biogenic,in-vitro	BHEFRN
C=C1[C@H]2C[C@H]2[C@@]2(C)Cc3occ(C)c3C[C@H]12	ZINC000085511168	290785768	/nfs/dbraw/zinc/78/57/68/290785768.db2.gz	LSDFTLVXLBHDLA-BHPKHCPMSA-N	0	0	214.308	3.515	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@@]2(C)CCC=C(C(=O)OC)[C@H]2C1	ZINC000085530694	290783632	/nfs/dbraw/zinc/78/36/32/290783632.db2.gz	IWKUFNFEQJRATO-JGGQBBKZSA-N	0	0	248.366	3.878	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@H](C)[C@@H]2C1	ZINC000085531596	560073188	/nfs/dbraw/zinc/07/31/88/560073188.db2.gz	VYOZKWKETGHHDW-XPABHHOTSA-N	0	0	222.372	3.776	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1C[C@@H]2C(C)=CCC[C@]2(C)[C@@H](O)C1	ZINC000085532311	560073021	/nfs/dbraw/zinc/07/30/21/560073021.db2.gz	IVRQVIHZMLFDBK-KBXIAJHMSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC(=O)[C@@]2(C)CCC=C(C)[C@H]2C1	ZINC000085532314	560073032	/nfs/dbraw/zinc/07/30/32/560073032.db2.gz	NCURUZQWQGIRTM-NFAWXSAZSA-N	0	0	218.340	3.904	1	30	biogenic,in-vitro	BHEFRN
C=C1[C@H]2CC[C@H]([C@@H]2OC)[C@]1(C)C1CCCC1	ZINC000085546669	290785770	/nfs/dbraw/zinc/78/57/70/290785770.db2.gz	MRWBLGJMKSZDFI-TUVASFSCSA-N	0	0	220.356	3.794	1	30	biogenic,in-vitro	BHEFRN
C=C1[C@@H]2C[C@@H](C[C@@H]2CO)[C@]1(C)C1CCCCC1	ZINC000085546682	560070600	/nfs/dbraw/zinc/07/06/00/560070600.db2.gz	WRTRGCCKEVBYEW-OJLVUWQFSA-N	0	0	234.383	3.778	1	30	biogenic,in-vitro	BHEFRN
C=C1[C@H]2CC[C@](C=O)(C2)[C@]1(C)C1CCCC1	ZINC000085546698	290785761	/nfs/dbraw/zinc/78/57/61/290785761.db2.gz	IMYOTFHEEDHDJO-AEGPPILISA-N	0	0	218.340	3.738	1	30	biogenic,in-vitro	BHEFRN
C=C1C[C@H]2C=C[C@@H](C[C@@H]3[C@@H]1CC3(C)C)[C@@]1(C)O[C@@H]21	ZINC000085547363	560072356	/nfs/dbraw/zinc/07/23/56/560072356.db2.gz	VGYMECICNDNREG-XHOLNKINSA-N	0	0	244.378	3.958	1	30	biogenic,in-vitro	BHEFRN
CC1=C2C[C@H]3CC[C@H]4CCC=C(C1=O)[C@@]24C3(C)C	ZINC000085549725	290788566	/nfs/dbraw/zinc/78/85/66/290788566.db2.gz	AKTRBMPSJRIWDY-KOFHJDLBSA-N	0	0	242.362	3.904	1	30	biogenic,in-vitro	BHEFRN
C=C1CCC[C@@]2(C)CC[C@@H]3C[C@]12O[C@H]3C	ZINC000085646378	290784778	/nfs/dbraw/zinc/78/47/78/290784778.db2.gz	WGUNTNPJVPKOEM-CRWXNKLISA-N	0	0	206.329	3.690	1	30	biogenic,in-vitro	BHEFRN
C=C[C@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@H]1C(=C)C	ZINC000085664071	571787557	/nfs/dbraw/zinc/78/75/57/571787557.db2.gz	WOULTTPZJDSDEI-GBJTYRQASA-N	0	0	222.372	3.798	1	30	endogenous,in-man	BHEFRN
C=C[C@]1(C)CC[C@H](C(C)C)[C@@H](O)[C@H]1C(=C)C	ZINC000085664072	571787519	/nfs/dbraw/zinc/78/75/19/571787519.db2.gz	WOULTTPZJDSDEI-KBUPBQIOSA-N	0	0	222.372	3.798	1	30	endogenous,in-man	BHEFRN
C=C[C@@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@H]1C(=C)C	ZINC000085664074	571787450	/nfs/dbraw/zinc/78/74/50/571787450.db2.gz	WOULTTPZJDSDEI-YJNKXOJESA-N	0	0	222.372	3.798	1	30	endogenous,in-man	BHEFRN
C=C[C@@]1(C)CC[C@H](C(C)C)[C@@H](O)[C@H]1C(=C)C	ZINC000085664077	571787566	/nfs/dbraw/zinc/78/75/66/571787566.db2.gz	WOULTTPZJDSDEI-TUVASFSCSA-N	0	0	222.372	3.798	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@H]2C(=O)CC[C@H](C)[C@@]2(C)C1	ZINC000085725646	290783071	/nfs/dbraw/zinc/78/30/71/290783071.db2.gz	YHPOLTFUARNADB-SFDCQRBFSA-N	0	0	220.356	3.984	1	30	biogenic,in-man	BHEFRN
C=C(CO)[C@@H]1CC[C@]2(C)CCCC(=C)[C@@H]2C1	ZINC000085757105	571787986	/nfs/dbraw/zinc/78/79/86/571787986.db2.gz	FKWGZOFNSIESOX-ILXRZTDVSA-N	0	0	220.356	3.698	1	30	endogenous,in-man	BHEFRN
C=C(CO)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1	ZINC000085757107	571788026	/nfs/dbraw/zinc/78/80/26/571788026.db2.gz	FKWGZOFNSIESOX-QLFBSQMISA-N	0	0	220.356	3.698	1	30	endogenous,in-man	BHEFRN
C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)C=C12	ZINC000085757133	560066867	/nfs/dbraw/zinc/06/68/67/560066867.db2.gz	SKTNVTDTHGDEEV-BPLDGKMQSA-N	0	0	220.356	3.696	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@]2(C)CC(=O)C=C(C)[C@H]2C1	ZINC000085757298	574416782	/nfs/dbraw/zinc/41/67/82/574416782.db2.gz	IVZATFCVCDHOLU-BPLDGKMQSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@H]2C1	ZINC000085757300	574416769	/nfs/dbraw/zinc/41/67/69/574416769.db2.gz	IVZATFCVCDHOLU-YUELXQCFSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@]2(C)CCC[C@@H](C)[C@H]2[C@@H]1O	ZINC000085758632	290783076	/nfs/dbraw/zinc/78/30/76/290783076.db2.gz	QZOCRPIQQKLQHN-FQKPHLNHSA-N	0	0	222.372	3.776	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC/C(C)=C/CCC2=C[C@H]1OC2=O	ZINC000085799833	188098337	/nfs/dbraw/zinc/09/83/37/188098337.db2.gz	FGWWKPRDQNGBKN-NCWPGJITSA-N	0	0	232.323	3.551	1	30		BHEFRN
C=C(C)[C@@H]1CC[C@@H](C)C2=C(C1)[C@@H](C)CC2=O	ZINC000085827091	571789030	/nfs/dbraw/zinc/78/90/30/571789030.db2.gz	NUWMTBMCSQWPDG-GRYCIOLGSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=CCCCC/C=C/C=C/C#CC#CC#CC	ZINC000085831958	188451674	/nfs/dbraw/zinc/45/16/74/188451674.db2.gz	LEQCZKIMKYGCIQ-TZSXFDEBSA-N	0	0	222.331	3.875	1	30	endogenous,in-man	BHEFRN
CC1=CC(=O)[C@@]2(C)CCCC(C)(C)[C@]23C[C@H]13	ZINC000085998793	290788573	/nfs/dbraw/zinc/78/85/73/290788573.db2.gz	DUBQOEOGAJJVNF-KCPJHIHWSA-N	0	0	218.340	3.738	1	30	biogenic,in-vitro	BHEFRN
CCCCCCCC[C@@H]1OC(C)=CC1=O	ZINC000086051839	571794946	/nfs/dbraw/zinc/79/49/46/571794946.db2.gz	ZLLDSWALGJWTSW-ZDUSSCGKSA-N	0	0	210.317	3.609	1	30	endogenous,in-man	BHEFRN
C[C@H]1C=CC2=CC(=O)C[C@]2(C)[C@@H]2CCCC[C@H]21	ZINC000095486031	290790794	/nfs/dbraw/zinc/79/07/94/290790794.db2.gz	REPSZHDKTARSEN-KSYCFECVSA-N	0	0	230.351	3.904	1	30	biogenic,in-vitro	BHEFRN
N#Cc1ccc(SC2CCCCC2)cc1C#N	ZINC000095559809	187288031	/nfs/dbraw/zinc/28/80/31/187288031.db2.gz	CXESXUITUZNGLQ-UHFFFAOYSA-N	0	0	242.347	3.855	1	30		BHEFRN
C=C1C=CC(=O)[C@@H]2[C@H](Cc3ccccc3)CC[C@H]12	ZINC000095561322	188146150	/nfs/dbraw/zinc/14/61/50/188146150.db2.gz	IUYPOADQBCMNFT-ZMSDIMECSA-N	0	0	238.330	3.567	1	30		BHEFRN
CC[C@@H](CC[C@H]1OC1(C)C)c1ccccc1O	ZINC000095576769	170820919	/nfs/dbraw/zinc/82/09/19/170820919.db2.gz	IXAAFWIAQVXXFS-SMDDNHRTSA-N	0	0	234.339	3.843	1	30		BHEFRN
N#CC(=NNc1ccccc1)c1ccccc1C#N	ZINC000095588758	187287747	/nfs/dbraw/zinc/28/77/47/187287747.db2.gz	JHRBZSIEKUQWBT-MJWGMMHASA-N	0	0	246.273	3.907	1	30		BHEFRN
N#CC(=NNc1ccccc1)c1ccccc1C#N	ZINC000095588759	188320752	/nfs/dbraw/zinc/32/07/52/188320752.db2.gz	JHRBZSIEKUQWBT-AMGRQBIBSA-N	0	0	246.273	3.907	1	30		BHEFRN
CCC(=O)/C=C/[C@@H]1[C@@H](C)C=CCC1(C)C	ZINC000095618230	168196621	/nfs/dbraw/zinc/19/66/21/168196621.db2.gz	ZQJCPDKTEXSWTH-MDQMCFMNSA-N	0	0	206.329	3.760	1	30	endogenous,in-man	BHEFRN
CCC(=O)/C=C/[C@H]1[C@@H](C)C=CCC1(C)C	ZINC000095618231	168197163	/nfs/dbraw/zinc/19/71/63/168197163.db2.gz	ZQJCPDKTEXSWTH-SXDPYWSBSA-N	0	0	206.329	3.760	1	30	endogenous,in-man	BHEFRN
C[C@H]1CCC=C2CC[C@H]3[C@H]([C@@]3(C)C=O)[C@@]21C	ZINC000095909645	290791361	/nfs/dbraw/zinc/79/13/61/290791361.db2.gz	IQBWPZYQOFAABM-XKNKYKOPSA-N	0	0	218.340	3.594	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@H](C(C)C)[C@H]2C=C(C)C(=O)C[C@H]12	ZINC000095909940	560059333	/nfs/dbraw/zinc/05/93/33/560059333.db2.gz	QUTSKAAVYUOEQA-MGPQQGTHSA-N	0	0	218.340	3.760	1	30	biogenic,in-vitro	BHEFRN
C=C1CC(=O)C[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000095910021	290784773	/nfs/dbraw/zinc/78/47/73/290784773.db2.gz	XIFNHTVOUZHUCY-ZLKJLUDKSA-N	0	0	220.356	3.984	1	30	biogenic,in-vitro	BHEFRN
C[C@@H]1CC[C@@H]2C[C@@]34O[C@]3(C)CC[C@]14C2(C)C	ZINC000095911285	290790796	/nfs/dbraw/zinc/79/07/96/290790796.db2.gz	ZIEAVLBEUVSHIU-OKNSCYNVSA-N	0	0	220.356	3.770	1	30	biogenic,in-vitro	BHEFRN
C[C@]12C[C@H]([C@]3(CO3)CC1)[C@]1(C)CCC[C@]21C	ZINC000095911307	290790832	/nfs/dbraw/zinc/79/08/32/290790832.db2.gz	ROBVBIQWPFXMHM-XPABHHOTSA-N	0	0	220.356	3.772	1	30	biogenic,in-vitro	BHEFRN
C[C@]12C[C@H]([C@@]3(CO3)CC1)[C@]1(C)CCC[C@]21C	ZINC000095911308	290790827	/nfs/dbraw/zinc/79/08/27/290790827.db2.gz	ROBVBIQWPFXMHM-ZQNQSHIBSA-N	0	0	220.356	3.772	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1C=CC[C@@]23O[C@@H]2CC[C@@H](C)[C@]13C	ZINC000095911342	560058260	/nfs/dbraw/zinc/05/82/60/560058260.db2.gz	WOYPMLLJPMHZHB-XLWJZTARSA-N	0	0	218.340	3.712	1	30	biogenic,in-vitro	BHEFRN
C=C1CCC[C@@]2(C)CC[C@](O)(C(C)C)C[C@H]12	ZINC000095911421	290784770	/nfs/dbraw/zinc/78/47/70/290784770.db2.gz	CAROBQKXUGHYBD-QLFBSQMISA-N	0	0	222.372	3.920	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CCC[C@@]2(C)CCC[C@@](C)(O)[C@H]12	ZINC000095911785	290783633	/nfs/dbraw/zinc/78/36/33/290783633.db2.gz	GWQUKIFNLZSKBV-APIJFGDWSA-N	0	0	222.372	3.920	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@H](C)[C@H]2CC(=O)C(C)=C2C1	ZINC000095911805	290783079	/nfs/dbraw/zinc/78/30/79/290783079.db2.gz	CESATEXQMONATC-CYZMBNFOSA-N	0	0	218.340	3.904	1	30	biogenic,in-vitro	BHEFRN
C=C1CC[C@H]2C[C@@]3(OC2(C)C)C(C)=CC[C@@H]13	ZINC000095911807	290785347	/nfs/dbraw/zinc/78/53/47/290785347.db2.gz	MGSOIRWVRUQEDG-KCQAQPDRSA-N	0	0	218.340	3.857	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@]2(C)CCC[C@@H](C)[C@H]2[C@H]1O	ZINC000095912052	560057633	/nfs/dbraw/zinc/05/76/33/560057633.db2.gz	QZOCRPIQQKLQHN-MRLBHPIUSA-N	0	0	222.372	3.776	1	30	biogenic,in-vitro	BHEFRN
C[C@@H]1CCCC2=CC(=O)[C@H]3[C@H](C3(C)C)[C@@]21C	ZINC000095913976	290790790	/nfs/dbraw/zinc/79/07/90/290790790.db2.gz	UGVIZCBJCSXBCJ-MSELDCQNSA-N	0	0	218.340	3.594	1	30	biogenic,in-vitro	BHEFRN
CCCCCCC/C=C/C(=O)N1CCCCC1	ZINC000095914099	560056137	/nfs/dbraw/zinc/05/61/37/560056137.db2.gz	QBDDXKUFMFRNPR-FMIVXFBMSA-N	0	0	237.387	3.916	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@H]2C1	ZINC000095918613	560055019	/nfs/dbraw/zinc/05/50/19/560055019.db2.gz	DPQYOKVMVCQHMY-LXTVHRRPSA-N	0	0	222.372	3.920	1	30	biogenic,in-vitro	BHEFRN
C=C1C=C[C@@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2C(C)C	ZINC000095918646	560055219	/nfs/dbraw/zinc/05/52/19/560055219.db2.gz	QLUSLBMNADHHII-APIJFGDWSA-N	0	0	220.356	3.552	1	30	biogenic,in-vitro	BHEFRN
CC(C)(C)c1ccc(-c2ccnc(C#N)c2)cc1	ZINC000096929158	188147791	/nfs/dbraw/zinc/14/77/91/188147791.db2.gz	UKGAVVTZTRSRCV-UHFFFAOYSA-N	0	0	236.318	3.918	1	30		BHEFRN
CC(C)[C@@H]1CC[C@]2(C)C(=CC(=O)C[C@@H]2C)C1	ZINC000098081921	187290660	/nfs/dbraw/zinc/29/06/60/187290660.db2.gz	NCHNAEUZABPVLT-ZOWXZIJZSA-N	0	0	220.356	3.984	1	30		BHEFRN
C=C(C)[C@@H]1CC[C@]2(C)C(=CC(=O)C[C@@H]2C)C1	ZINC000098081922	188148512	/nfs/dbraw/zinc/14/85/12/188148512.db2.gz	QGBYEZJHICXAMA-ZOWXZIJZSA-N	0	0	218.340	3.904	1	30		BHEFRN
CC1=CC(=O)C=C2C[C@H](C(C)C)CC[C@@]12C	ZINC000098081924	168091586	/nfs/dbraw/zinc/09/15/86/168091586.db2.gz	WWGLCDLYWNTMMZ-DOMZBBRYSA-N	0	0	218.340	3.904	1	30		BHEFRN
O=C(/C=C/c1ccc(Cl)cc1)c1ccc[nH]1	ZINC000098084200	181837089	/nfs/dbraw/zinc/83/70/89/181837089.db2.gz	SPILORUZGXVCQU-VMPITWQZSA-N	0	0	231.682	3.564	1	30		BHEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)CCC[C@H](C)CC[C@H]12	ZINC000100076770	560053475	/nfs/dbraw/zinc/05/34/75/560053475.db2.gz	DCNAVROPXHTJGM-DKWJYAAYSA-N	0	0	234.339	3.631	1	30	biogenic,in-vitro	BHEFRN
C=C(C)[C@H]1CC[C@]2(C)CC(=O)C=C(C)[C@@H]2C1	ZINC000100778472	571828063	/nfs/dbraw/zinc/82/80/63/571828063.db2.gz	IVZATFCVCDHOLU-AEGPPILISA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
CC(C)=C1CC(=O)[C@@H](C)CCC=C(C)CC1=O	ZINC000100778771	571828916	/nfs/dbraw/zinc/82/89/16/571828916.db2.gz	ZYPUZCWWTYIGFV-DSDFTUOUSA-N	0	0	234.339	3.617	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@@H](C)[C@]2(C1)O3	ZINC000100778976	571829664	/nfs/dbraw/zinc/82/96/64/571829664.db2.gz	RGRYQUWGSJPMMK-QRTUWBSPSA-N	0	0	220.356	3.936	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@H](C)CC2=O	ZINC000100780072	571832488	/nfs/dbraw/zinc/83/24/88/571832488.db2.gz	NUWMTBMCSQWPDG-QJPTWQEYSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
N#Cc1nc2ccccc2c2[nH]c3ccccc3c21	ZINC000100821306	181071458	/nfs/dbraw/zinc/07/14/58/181071458.db2.gz	RVGQSLCAAZQGDT-UHFFFAOYSA-N	0	0	243.269	3.693	1	30		BHEFRN
C[C@@H]1CCCC(=CNc2ccc(O)cc2)C1=O	ZINC000101467789	176062470	/nfs/dbraw/zinc/06/24/70/176062470.db2.gz	JAUOQDBSYZYNSH-KXUVPBGPSA-N	0	0	231.295	3.727	1	30		BHEFRN
C[C@H]1CCCC(=CNc2ccc(O)cc2)C1=O	ZINC000101467791	177069672	/nfs/dbraw/zinc/06/96/72/177069672.db2.gz	JAUOQDBSYZYNSH-CNOAHFENSA-N	0	0	231.295	3.727	1	30		BHEFRN
C=C1CC[C@H]2C[C@@H]1C(C)(C)C[C@@H](O)C=C2C	ZINC000101648077	188584330	/nfs/dbraw/zinc/58/43/30/188584330.db2.gz	CXCWPODYESQSPM-IHRRRGAJSA-N	0	0	220.356	3.696	1	30		BHEFRN
COc1ccc(CNC=C2CCCCC2=O)cc1	ZINC000101653936	175083512	/nfs/dbraw/zinc/08/35/12/175083512.db2.gz	KWBWCEVOBXNFGT-LFIBNONCSA-N	0	0	245.322	3.652	1	30		BHEFRN
Cc1ccc(C(=O)C=CNc2ccccn2)cc1	ZINC000101728999	178352407	/nfs/dbraw/zinc/35/24/07/178352407.db2.gz	RIMSZFLGKGNZGP-IVYHHUKSSA-N	0	0	238.290	3.691	1	30		BHEFRN
CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1C	ZINC000101891329	188322670	/nfs/dbraw/zinc/32/26/70/188322670.db2.gz	QTFWJDKCCCHIKG-QMMMGPOBSA-N	0	0	247.338	3.572	1	30		BHEFRN
CC1(C)CCC[C@]2(C)C(C=O)=C(O)CC[C@@H]12	ZINC000102164022	167916144	/nfs/dbraw/zinc/91/61/44/167916144.db2.gz	SYMFXYDWORSDKZ-JMRXXTBOSA-N	0	0	222.328	3.624	1	30		BHEFRN
N#CCN(/N=N\c1ccccc1)c1ccccc1	ZINC000102817937	181039675	/nfs/dbraw/zinc/03/96/75/181039675.db2.gz	DGASXQYWYKMVJG-MSUUIHNZSA-N	0	0	236.278	3.715	1	30		BHEFRN
CCCO/N=C/COc1ccc(CC(C)C)cc1	ZINC000103184831	169298062	/nfs/dbraw/zinc/29/80/62/169298062.db2.gz	PHOHAZONAKWFLD-CXUHLZMHSA-N	0	0	249.354	3.676	1	30		BHEFRN
CCCCCCCC=C=CC(=O)C(F)(F)F	ZINC000103188409	188150701	/nfs/dbraw/zinc/15/07/01/188150701.db2.gz	KVRIETRXMCEVCU-UHFFFAOYSA-N	0	0	234.261	3.872	1	30		BHEFRN
CCCCC#CCCCC#CCCCCO	ZINC000103204447	187291810	/nfs/dbraw/zinc/29/18/10/187291810.db2.gz	DUHWPSBXJXGYST-UHFFFAOYSA-N	0	0	220.356	3.516	1	30		BHEFRN
O=C1c2cccc3cccc(c32)C=C1Cl	ZINC000103208023	182713883	/nfs/dbraw/zinc/71/38/83/182713883.db2.gz	IAMVAELQMGLWQD-UHFFFAOYSA-N	0	0	214.651	3.616	1	30		BHEFRN
C=CCOc1ccccc1OCCCCC	ZINC000103211783	166425160	/nfs/dbraw/zinc/42/51/60/166425160.db2.gz	DPINFFUWEMYMJT-UHFFFAOYSA-N	0	0	220.312	3.820	1	30		BHEFRN
Cc1cccc2sc(N=NC3CCCC3)nc21	ZINC000103271868	179234592	/nfs/dbraw/zinc/23/45/92/179234592.db2.gz	DWHLEHJAUCQTAG-UHFFFAOYSA-N	0	0	245.351	3.947	1	30		BHEFRN
C=CCc1cc(OCCCC)ccc1OC	ZINC000103281962	187363902	/nfs/dbraw/zinc/36/39/02/187363902.db2.gz	YHJKEGHINKOAAE-UHFFFAOYSA-N	0	0	220.312	3.603	1	30		BHEFRN
C=CCc1cccc(OCCC(C)C)c1O	ZINC000103282836	187363906	/nfs/dbraw/zinc/36/39/06/187363906.db2.gz	BDSMKYXVJONKGM-UHFFFAOYSA-N	0	0	220.312	3.546	1	30		BHEFRN
C=CCOc1c(CC=C)cccc1OCCC	ZINC000103284713	166422073	/nfs/dbraw/zinc/42/20/73/166422073.db2.gz	BODMMPOKMMAUIP-UHFFFAOYSA-N	0	0	232.323	3.769	1	30		BHEFRN
C=CCc1cccc(OC)c1OCCCC	ZINC000103284789	188153816	/nfs/dbraw/zinc/15/38/16/188153816.db2.gz	HJDZOPKFNBOPMM-UHFFFAOYSA-N	0	0	220.312	3.603	1	30		BHEFRN
C=CCc1cccc(OCC)c1OCCC	ZINC000103284806	187294156	/nfs/dbraw/zinc/29/41/56/187294156.db2.gz	HFDJSVMXWUPBCG-UHFFFAOYSA-N	0	0	220.312	3.603	1	30		BHEFRN
C=CCc1cccc(OCCCC)c1OCC	ZINC000103284809	188153479	/nfs/dbraw/zinc/15/34/79/188153479.db2.gz	OMWKQDJLDQHHJB-UHFFFAOYSA-N	0	0	234.339	3.993	1	30		BHEFRN
C=CCc1cccc(OCCC)c1OCC	ZINC000103284816	187293673	/nfs/dbraw/zinc/29/36/73/187293673.db2.gz	TVOMAKOGTBURJY-UHFFFAOYSA-N	0	0	220.312	3.603	1	30		BHEFRN
C=CCc1cc(OCCC(C)C)ccc1O	ZINC000103286513	188225603	/nfs/dbraw/zinc/22/56/03/188225603.db2.gz	LGJBCKBJRGCJNQ-UHFFFAOYSA-N	0	0	220.312	3.546	1	30		BHEFRN
C=CCc1cc(OCC)ccc1OCCCC	ZINC000103287446	187711736	/nfs/dbraw/zinc/71/17/36/187711736.db2.gz	OVSGMYQYBSKUTJ-UHFFFAOYSA-N	0	0	234.339	3.993	1	30		BHEFRN
C=CCc1cc(OC)ccc1OCCCC	ZINC000103287452	188407068	/nfs/dbraw/zinc/40/70/68/188407068.db2.gz	AXDLEHLSXAXGHU-UHFFFAOYSA-N	0	0	220.312	3.603	1	30		BHEFRN
C=CCc1cc(OCCC(C)C)ccc1OC	ZINC000103287547	188225567	/nfs/dbraw/zinc/22/55/67/188225567.db2.gz	RRWCVGSPAFYEOO-UHFFFAOYSA-N	0	0	234.339	3.849	1	30		BHEFRN
C=C(C)[C@@H]1CC[C@@]2(C)C=C[C@](C)(O)C=C2C1	ZINC000103290337	188327849	/nfs/dbraw/zinc/32/78/49/188327849.db2.gz	DUBVYZUXIZEVGS-SNPRPXQTSA-N	0	0	218.340	3.616	1	30		BHEFRN
C=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C	ZINC000103542513	560052271	/nfs/dbraw/zinc/05/22/71/560052271.db2.gz	DIZRSLUNVNGBPA-NJZAAPMLSA-N	0	0	218.340	3.904	1	30	biogenic,in-vitro	BHEFRN
CC(C)=C1C[C@@H]2O[C@]2(C)CCCC(C)=CC1=O	ZINC000103555385	560051677	/nfs/dbraw/zinc/05/16/77/560051677.db2.gz	DWGVRYKQVZGSIB-GFKCUXFZSA-N	0	0	234.339	3.570	1	30	biogenic,in-vitro	BHEFRN
O=C1C=C(Nc2ccccc2)C(=O)c2ccccc21	ZINC000103561418	290791966	/nfs/dbraw/zinc/79/19/66/290791966.db2.gz	GAWWQRPONRAXSM-SAPNQHFASA-N	0	0	249.269	3.555	1	30	biogenic,in-vitro	BHEFRN
CC(C)=CC(=O)C=C(C)CCC/C(C)=C/CO	ZINC000103584765	290787253	/nfs/dbraw/zinc/78/72/53/290787253.db2.gz	VCXVMWVWGVWZPY-PUCXRGNASA-N	0	0	236.355	3.577	1	30	biogenic,in-vitro	BHEFRN
C=C[C@](C)(O)CCC/C(C)=C/C(=O)C=C(C)C	ZINC000103586998	560051406	/nfs/dbraw/zinc/05/14/06/560051406.db2.gz	OTRVEZNVCKAIQL-FQNOHDAGSA-N	0	0	236.355	3.575	1	30	biogenic,in-vitro	BHEFRN
O/N=C1/[C@@H]2CCC[C@H]1CC=C2c1ccccc1	ZINC000104289385	181829037	/nfs/dbraw/zinc/82/90/37/181829037.db2.gz	DJWAKEWVSIKTCV-HPHYPMJBSA-N	0	0	227.307	3.720	1	30		BHEFRN
C=C(C)[C@@H]1CC[C@@H](C)C2=C(C1)[C@H](C)CC2=O	ZINC000113264588	571843738	/nfs/dbraw/zinc/84/37/38/571843738.db2.gz	NUWMTBMCSQWPDG-IJLUTSLNSA-N	0	0	218.340	3.904	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C)[C@H]2C1	ZINC000138081520	571850637	/nfs/dbraw/zinc/85/06/37/571850637.db2.gz	VYOZKWKETGHHDW-RYPNDVFKSA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
Cc1coc2c1C(=O)C=C(C)CCC=C(C)C2=O	ZINC000144840537	187299571	/nfs/dbraw/zinc/29/95/71/187299571.db2.gz	KELZYRMOEAISJM-POHAHGRESA-N	0	0	244.290	3.640	1	30		BHEFRN
C=C1CC[C@@H]2C[C@@H]1C(C)(C)C[C@@H](O)C=C2C	ZINC000169290870	188078564	/nfs/dbraw/zinc/07/85/64/188078564.db2.gz	CXCWPODYESQSPM-RDBSUJKOSA-N	0	0	220.356	3.696	1	30		BHEFRN
C=C1CC[C@@H]2C[C@@H]1C(C)(C)C[C@@H](O)/C=C\2C	ZINC000169290871	187565081	/nfs/dbraw/zinc/56/50/81/187565081.db2.gz	CXCWPODYESQSPM-BHIVFPANSA-N	0	0	220.356	3.696	1	30		BHEFRN
C=C1CCC(=O)[C@@H](C)CC[C@H]2[C@@H]1CC2(C)C	ZINC000169294277	187564953	/nfs/dbraw/zinc/56/49/53/187564953.db2.gz	GWBJPNAWYMBRLQ-XQQFMLRXSA-N	0	0	220.356	3.984	1	30		BHEFRN
C=C1CCC(=O)[C@H](C)CC[C@H]2[C@@H]1CC2(C)C	ZINC000169294278	188251874	/nfs/dbraw/zinc/25/18/74/188251874.db2.gz	GWBJPNAWYMBRLQ-UPJWGTAASA-N	0	0	220.356	3.984	1	30		BHEFRN
N#C[C@@H](Cc1ccc[nH]1)c1ccc(Cl)cc1	ZINC000169329397	181055637	/nfs/dbraw/zinc/05/56/37/181055637.db2.gz	XNTJXRQMWBYMKA-LLVKDONJSA-N	0	0	230.698	3.518	1	30		BHEFRN
N#C[C@H](Cc1ccc[nH]1)c1ccc(Cl)cc1	ZINC000169329398	181063618	/nfs/dbraw/zinc/06/36/18/181063618.db2.gz	XNTJXRQMWBYMKA-NSHDSACASA-N	0	0	230.698	3.518	1	30		BHEFRN
C=C1CC[C@H](C)/C(C)=C/[C@H]2[C@H]1CC[C@]2(C)O	ZINC000169332803	187226788	/nfs/dbraw/zinc/22/67/88/187226788.db2.gz	LMBNOBPWWFAPHY-ATCAXGPQSA-N	0	0	220.356	3.696	1	30		BHEFRN
C=C[C@]1(C)CC/C=C(\C)CC[C@@H](C(C)(C)O)O1	ZINC000169333778	188078343	/nfs/dbraw/zinc/07/83/43/188078343.db2.gz	LWYUSWLRBKNRLB-SIRQDLBWSA-N	0	0	238.371	3.608	1	30		BHEFRN
C=C(C)/C=C/c1ccc2[nH]cc(C/C=N/O)c2c1	ZINC000169337064	188161789	/nfs/dbraw/zinc/16/17/89/188161789.db2.gz	AXIGXWXFKXWZDN-NKYNQIKBSA-N	0	0	240.306	3.760	1	30		BHEFRN
C=C(C)/C=C/c1ccc2[nH]cc(C/C=N\O)c2c1	ZINC000169337066	188338906	/nfs/dbraw/zinc/33/89/06/188338906.db2.gz	AXIGXWXFKXWZDN-LRZMSQBSSA-N	0	0	240.306	3.760	1	30		BHEFRN
C=C1CC/C=C(/C)[C@H](O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000169369730	188251947	/nfs/dbraw/zinc/25/19/47/188251947.db2.gz	OIEGRICJBAVBOD-JVZBLKNWSA-N	0	0	220.356	3.696	1	30		BHEFRN
C=C1CC[C@H]2C[C@H]1C(C)(C)C[C@H](O)/C=C\2C	ZINC000195122958	188224475	/nfs/dbraw/zinc/22/44/75/188224475.db2.gz	CXCWPODYESQSPM-YADFJFBMSA-N	0	0	220.356	3.696	1	30		BHEFRN
C=C1CC[C@H]2C[C@H]1C(C)(C)C[C@@H](O)/C=C\2C	ZINC000195122974	187828088	/nfs/dbraw/zinc/82/80/88/187828088.db2.gz	CXCWPODYESQSPM-FDUVVWAGSA-N	0	0	220.356	3.696	1	30		BHEFRN
C=C[C@]1(C)CC/C=C(\C)CC[C@H](C(C)(C)O)O1	ZINC000195385581	188051250	/nfs/dbraw/zinc/05/12/50/188051250.db2.gz	LWYUSWLRBKNRLB-OSEPDQNXSA-N	0	0	238.371	3.608	1	30		BHEFRN
C=C[C@@]1(C)CC/C=C(\C)CC[C@H](C(C)(C)O)O1	ZINC000195385591	188050782	/nfs/dbraw/zinc/05/07/82/188050782.db2.gz	LWYUSWLRBKNRLB-CSPHYMHISA-N	0	0	238.371	3.608	1	30		BHEFRN
C=C1/C=C/[C@@H](C(C)C)C/C=C(\C)CC[C@H]1O	ZINC000205066826	290673549	/nfs/dbraw/zinc/67/35/49/290673549.db2.gz	BWBBFQXPSPCQPX-VAEQNULSSA-N	0	0	220.356	3.862	1	30	biogenic	BHEFRN
C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C)[C@@H]2C1	ZINC000230075332	571852805	/nfs/dbraw/zinc/85/28/05/571852805.db2.gz	VYOZKWKETGHHDW-QMIVOQANSA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@@H](C)[C@@]12CC(=C(C)C)C(=O)O2	ZINC000230075399	571852819	/nfs/dbraw/zinc/85/28/19/571852819.db2.gz	KHOTZHZBHNDKOB-ZLDLUXBVSA-N	0	0	234.339	3.631	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@H](C)[C@@]12CC(=C(C)C)C(=O)O2	ZINC000230075409	571852757	/nfs/dbraw/zinc/85/27/57/571852757.db2.gz	KHOTZHZBHNDKOB-WHOFXGATSA-N	0	0	234.339	3.631	1	30	endogenous,in-man	BHEFRN
C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@H]12	ZINC000231210497	571853355	/nfs/dbraw/zinc/85/33/55/571853355.db2.gz	MSJJKJCIFIGTJY-LXTVHRRPSA-N	0	0	222.372	3.776	1	30	endogenous,in-man	BHEFRN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H](O)C(=C)[C@H]2C1	ZINC000257401903	571859172	/nfs/dbraw/zinc/85/91/72/571859172.db2.gz	CZFHAODYOVXPIQ-KBUPBQIOSA-N	0	0	220.356	3.696	1	30	endogenous,in-man	BHEFRN
C=C1/C=C/[C@H](C(C)C)C/C=C(\C)CC[C@H]1O	ZINC000523042014	560029140	/nfs/dbraw/zinc/02/91/40/560029140.db2.gz	BWBBFQXPSPCQPX-AFWFETHISA-N	0	0	220.356	3.862	1	30	biogenic	BHEFRN
C=C1/C=C/[C@@H](C(C)C)C/C=C(\C)CC[C@@H]1O	ZINC000523042017	560029088	/nfs/dbraw/zinc/02/90/88/560029088.db2.gz	BWBBFQXPSPCQPX-GIPOETGQSA-N	0	0	220.356	3.862	1	30	biogenic	BHEFRN
C=C1/C=C/[C@H](C(C)C)C/C=C(\C)CC[C@@H]1O	ZINC000523042018	560029090	/nfs/dbraw/zinc/02/90/90/560029090.db2.gz	BWBBFQXPSPCQPX-VPQCAZDASA-N	0	0	220.356	3.862	1	30	biogenic	BHEFRN
C=C[C@]1(C)CC[C@H](C(C)(C)O)C[C@H]1C(=C)C	ZINC000015150010	192035558	/nfs/dbraw/zinc/03/55/58/192035558.db2.gz	GFJIQNADMLPFOW-KCQAQPDRSA-N	0	0	222.372	3.942	2	30		BHEFRN
C=C[C@]1(C)CC[C@H](C(C)(C)O)C[C@@H]1C(=C)C	ZINC000015150012	355873589	/nfs/dbraw/zinc/87/35/89/355873589.db2.gz	GFJIQNADMLPFOW-GZBFAFLISA-N	0	0	222.372	3.942	2	30		BHEFRN
C=C[C@]1(C)CC[C@@H](C(C)(C)O)C[C@@H]1C(=C)C	ZINC000015150014	192035720	/nfs/dbraw/zinc/03/57/20/192035720.db2.gz	GFJIQNADMLPFOW-UMVBOHGHSA-N	0	0	222.372	3.942	2	30		BHEFRN
CCCCCCCCCCCCNOC(C)=O	ZINC000078035988	384428209	/nfs/dbraw/zinc/42/82/09/384428209.db2.gz	FSEXWAZFDNOKAE-UHFFFAOYSA-N	0	0	243.391	3.975	2	30		BHEFRN
CC(C)c1ccc(C[C@@H](C)CC=O)cc1	ZINC000086862394	385055123	/nfs/dbraw/zinc/05/51/23/385055123.db2.gz	OCWHFGFMPMIWPD-LBPRGKRZSA-N	0	0	204.313	3.578	2	30		BHEFRN
CC(C)c1ccc(C[C@H](C)CC=O)cc1	ZINC000086862396	385055811	/nfs/dbraw/zinc/05/58/11/385055811.db2.gz	OCWHFGFMPMIWPD-GFCCVEGCSA-N	0	0	204.313	3.578	2	30		BHEFRN
N#CCC1=Cc2c(Cl)cccc2SC1	ZINC000086863980	385054680	/nfs/dbraw/zinc/05/46/80/385054680.db2.gz	SLFDRTYDNJEKHI-UHFFFAOYSA-N	0	0	221.712	3.743	2	30		BHEFRN
Cc1ccc([C@@H](C#N)c2cnccc2Cl)cc1	ZINC000205429362	350147602	/nfs/dbraw/zinc/14/76/02/350147602.db2.gz	UJJZEZIFNZXZGB-GFCCVEGCSA-N	0	0	242.709	3.699	2	30		BHEFRN
Cc1ccc([C@H](C#N)c2cnccc2Cl)cc1	ZINC000205429380	350147444	/nfs/dbraw/zinc/14/74/44/350147444.db2.gz	UJJZEZIFNZXZGB-LBPRGKRZSA-N	0	0	242.709	3.699	2	30		BHEFRN
O=C1c2ccccc2C=C1[C@@H]1C=CCCC1	ZINC000205462117	411446667	/nfs/dbraw/zinc/44/66/67/411446667.db2.gz	PGEWXUYYFLOGLE-LLVKDONJSA-N	0	0	210.276	3.623	2	30		BHEFRN
C[C@@H](c1cccc(Cl)c1)c1cnccc1C#N	ZINC000205478582	369950718	/nfs/dbraw/zinc/95/07/18/369950718.db2.gz	VJCLVTWYWJMUQC-JTQLQIEISA-N	0	0	242.709	3.758	2	30		BHEFRN
C[C@H](c1cccc(Cl)c1)c1cnccc1C#N	ZINC000205478598	369950518	/nfs/dbraw/zinc/95/05/18/369950518.db2.gz	VJCLVTWYWJMUQC-SNVBAGLBSA-N	0	0	242.709	3.758	2	30		BHEFRN
CC1=C[C@@H]2[C@@H](CC1=O)C(C)=CC[C@H]2C(C)C	ZINC000003171698	168132350	/nfs/dbraw/zinc/13/23/50/168132350.db2.gz	LMILVXQXGKTFSZ-IHRRRGAJSA-N	0	0	218.340	3.760	3	30	in-vitro	BHEFRN
CC1=C[C@@H]2[C@@H](C(C)C)CC=C(C)[C@H]2CC1=O	ZINC000003978619	168131650	/nfs/dbraw/zinc/13/16/50/168131650.db2.gz	LMILVXQXGKTFSZ-MGPQQGTHSA-N	0	0	218.340	3.760	3	30	in-vitro	BHEFRN
CC1=C[C@H]2[C@H](CC1=O)C(C)=CC[C@H]2C(C)C	ZINC000003978620	560192728	/nfs/dbraw/zinc/19/27/28/560192728.db2.gz	LMILVXQXGKTFSZ-BFHYXJOUSA-N	0	0	218.340	3.760	3	30	in-vitro	BHEFRN
CC1=C[C@H]2[C@@H](C(C)C)CC=C(C)[C@H]2CC1=O	ZINC000003978621	168126032	/nfs/dbraw/zinc/12/60/32/168126032.db2.gz	LMILVXQXGKTFSZ-MCIONIFRSA-N	0	0	218.340	3.760	3	30	in-vitro	BHEFRN
CC1=C[C@@H]2[C@H](CC1=O)C(C)=CC[C@H]2C(C)C	ZINC000003978622	168126731	/nfs/dbraw/zinc/12/67/31/168126731.db2.gz	LMILVXQXGKTFSZ-MJBXVCDLSA-N	0	0	218.340	3.760	3	30	in-vitro	BHEFRN
C=C1C[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000003978659	560192800	/nfs/dbraw/zinc/19/28/00/560192800.db2.gz	AMTSLHRSERHBCF-NRWUCQMLSA-N	0	0	206.329	3.546	3	30	in-vitro	BHEFRN
C=C1C[C@@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000003978660	560192785	/nfs/dbraw/zinc/19/27/85/560192785.db2.gz	AMTSLHRSERHBCF-NMKXLXIOSA-N	0	0	206.329	3.546	3	30	in-vitro	BHEFRN
C=C1C[C@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000003978662	188101597	/nfs/dbraw/zinc/10/15/97/188101597.db2.gz	AMTSLHRSERHBCF-BYNQJWBRSA-N	0	0	206.329	3.546	3	30	in-vitro	BHEFRN
Cc1ccc(N=NC=CCc2ccco2)cc1	ZINC000006995638	178711665	/nfs/dbraw/zinc/71/16/65/178711665.db2.gz	FHPRWYNRAYODDD-NYGWLLIDSA-N	0	0	226.279	3.699	3	30		BHEFRN
CC1=C[C@@H]2[C@@H](CC1=O)C(C)=CC[C@@H]2C(C)C	ZINC000013298604	168126854	/nfs/dbraw/zinc/12/68/54/168126854.db2.gz	LMILVXQXGKTFSZ-RDBSUJKOSA-N	0	0	218.340	3.760	3	30	in-vitro	BHEFRN
CC#C[C@@H](CC)c1ccc2ccn(C)c2c1	ZINC000036387652	188278526	/nfs/dbraw/zinc/27/85/26/188278526.db2.gz	QCGJWSBWDBJWSR-GFCCVEGCSA-N	0	0	211.308	3.695	3	30		BHEFRN